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XLUNIFAC version 1.

is a program to calculate activity coefficients


of liquids using the UNIFAC model
Copyright (C) 2000 Preben Randhol and Hilde K Engelien

This program is free software; you can redistribute it and/or modify


it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
see the GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA.

To contact Preben Randhol write an e-mail to randhol@pvv.org

Welcome to XLUNIFAC version 1.0.


Here is a short introduction to the use of this program. Please refer to the
documentation for more information about the use of this program and the
UNIFAC model used in this program

Navigation
This workbook is divided into several worksheets. In order to jump to a
specific worksheet just press on the tab on the bottom of the window with the
name of the worksheet you seek. For instance if you want to look at the
combinatorial calculations just press the tab named "Calc Combinatorial Part".
If you do not see the tab you are looking for you can scroll the row of tabs by
pressing the arrows left of all the tabs, until the tab appears.

Calculation
To calculate activity coefficients you must first input the components, their
mole fractions and the temperature. To do this you have to go to the
worksheet named "Calculation".
A mixture can contain up to 15 components. To specify a component you press the
button with the arrow and choose the component from the list. Note that the
component needs to have been pre-defined in the "Define Component" worksheet.
You can also click in the field to the left of the button and start typing the
name of the component until it appears in that field.
Now you can specify the mole fractions of the components. It is possible to
input up to 5 different mixtures of the components chosen. These will be
calculated simultaneously. If you for a component choose a mole fraction equal
to zero, it will cancel out in the calculations and the activity coefficient
will not be calculated for that component. So if you want to calculate one
mixture with and one without a component you can set the component's mole
fraction in the one mixture to zero and the desired mole fraction in the other
mixture and then calculate the results.
After entering the mole fractions you must also enter the temperature, in
Kelvin, for the calculation.
Now you simply press the key marked F9 on your keyboard to calculate
the activity coefficients and the results appear at the bottom of the
Calculation worksheet. Note that if you have just selected a component you
need to press with the mouse somewhere else in the worksheet before pressing F9.
If you want to look at the intermediate calculations such as the combinatorial
and residual part of the activity coefficient, simply click on the appropriate
tab. For example if you want to look at the the residual part you click on the
tab marked "Calc Residual Part".

To understand the tables in the "Calc Residual Part (Pure)" worksheet you will
have to compare the subgroup table with the other tables to find out which
subgroup the variables are calculated. This does not apply for the residual
part of the activity coefficient.

Defining new components


To add a new component you need to press the tab marked "Define Component".
In this worksheet you will find a long table where components are defined.
To add a new component you need to go to the first empty name field. Please
note that you must not skip a name field when adding a new component. The
reason is that the program only reads this table until it reaches an empty name
field due to speed considerations of the calculations.
To define the component you enter its name in the yellow name field and then in
the row below you start defining the subgroups of the component. A list of the
names of the various subgroups can be found in the worksheet labelled "Table
Rk, Qk". You type in the name of the first subgroup and then in the cell
directly below you specify how many of that subgroup is present in the
component. Then you give the next subgroup and so on. So if you wanted to
define the component benzene you would have to write subgroup name ACH and that
there are 6 of that subgroup in benzene. Note that the subgroups must be
defined from the left to the right without skipping any cells as the program
only reads until it encounters an empty cell.
Now it is very important that you SAVE the workbook. After that you must press
the key F9 on your keyboard so that the program can read your new component.
This may take some time for the program to finish.

Adding a new subgroup


To add a new subgroup go to the worksheet "Table Rk,Qk''. Here you will find
a rather long table of main groups, subgroups and Rk and Qk parameters.
Go to the right cell in the table where the new subgroup should go and enter
its name as well as its Rk and Qk parameters and the number of the main group
it is part of. Note that if the main group is also new, you will have to add
the interaction parameters as well as explained in the next subsection.
Be sure to put the subgroup in the right place according to the literature
tables. It is not arbitrary where you place it.
Now SAVE the workbook and then press the key F9 on your keyboard.

Adding interaction parameters


You add the interaction parameters in the worksheet "Table Interaction". In
this worksheet there is a large table of interaction parameters. Remember that
amn =/= anm so you will have to enter both interaction parameters for main
group m and n.
The name of the main group can be defined right before the first column in the
m'th row. The name will then be automatically copied in the m'th column in the row

just over the first row.


Now SAVE the workbook and then press the key F9 on your keyboard.

Components
No

Do not choose "[n/a]"

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15

49
45
17
21
37
29
1
45
45
49
-1
-1
-1
-1
-1

Molefractions (of up to five different mixtures)


1

Temperature
5

9.9990E-01
1.0000E-04

T=

Press the F9 key


to calculate the result
NB: After selecting a component, you must
click in this sheet before pressing F9

( x_i )

1.0000E+00

0.0000E+00

0.0000E+00

0.0000E+00

0.0000E+00

ln i
No

1
2
3
4
5
6
7
8
9
10
11
12
13
14

#VALUE!
#VALUE!

400 K

Activity coefficient, i
4

#VALUE!
#VALUE!

15

Component Table

Name:

water

r:

No of subgr:

#VALUE!
Name:

#VALUE!

CH2
1

OH
1

#VALUE!

#VALUE!

#VALUE!

n-Pentane
CH3
2

CH2
3

#VALUE!

#VALUE!

Sub group:
No of subgr:

CH3
1

CH3CO
1

#VALUE!

#VALUE!

No of subgr:

Sub group:

#VALUE!

-1

-1

CH3
2

CH
1

OH
1

#VALUE!

#VALUE!

#VALUE!

2-propanol
No of subgr:

1-hexanol
CH3
1

CH2
5

OH
1

#VALUE!

#VALUE!

#VALUE!

Sub group:
No of subgr:

1-octanol
CH3
1

CH2
7

OH
1

#VALUE!

#VALUE!

#VALUE!

Sub group:
No of subgr:
Name:

2-methyl-1-propanol
Sub group:
No of subgr:

Name:

No of subgr:
Name:

No of subgr:

#VALUE!

-1

-1

r:

#VALUE!

-1

-1

r:

#VALUE!

-1

-1

r:

#VALUE!

-1

-1

r:

#VALUE!

-1

-1

r:

#VALUE!

-1

-1

r:

#VALUE!

-1

-1

r:

#VALUE!

-1

-1

r:

#VALUE!

CH2
1

CH
1

OH
1

#VALUE!

#VALUE!

#VALUE!

#VALUE!

-1

r:

#VALUE!

CH3
1

CH2
2

OH
1

#VALUE!

#VALUE!

#VALUE!

1-butanol
Sub group:

-1

r:

CH3
2

1-propanol
Sub group:

-1

CH3OH
1

Sub group:

Name:

-1

methanol
No of subgr:

Name:

-1

acetone
Sub group:

Name:

-1

CH3
1

Sub group:

Name:

-1

ethanol
No of subgr:

Name:

-1

ACH
6

Sub group:

Name:

-1

benzene
No of subgr:

Name:

#VALUE!

H2O
1

Sub group:

CH3
1

CH2
3

OH
1

#VALUE!

#VALUE!

#VALUE!

-1

-1

r:

#VALUE!

-1

-1

Name:

2-butanol
Sub group:
No of subgr:

r:

#VALUE!

CH3
2

CH2
1

CH
1

OH
1

#VALUE!

#VALUE!

#VALUE!

#VALUE!

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1
Name:
Sub group:

-1

-1

No of subgr:
-1

-1

-1

Name:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1
Name:
Sub group:

-1

-1

No of subgr:
-1

-1

-1

Name:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1
Name:
Sub group:

-1

-1

No of subgr:
-1

-1

-1

Name:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1
Name:
Sub group:

-1

-1

No of subgr:
-1

-1

-1

Name:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1
Name:
Sub group:

-1

-1

No of subgr:
-1

-1

-1

Name:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

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-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:
Sub group:
No of subgr:
-1

-1

-1

Name:

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

-1

-1

r:

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Sub group:
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Sub group:
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Sub group:
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Sub group:
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Sub group:
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-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

q:

l:

-1

-1

-1

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

q:

l:

Sum vk:

-1

-1

-1

-1

-1

-1

Table over R and Q values for subgroups


Main group

1
1
1
1
2
2
2
2
2
3
3
4
4
4
5
6
7
8
9
9
10
11
11
12
13
13
13
13
14
14
14
15
15
15
16
16
17
18
18
18
19
19
20
20
21
21
21
22
22

Subgroup

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49

Group name

CH3
CH2
CH
C
CH2=CH
CH=CH
CH2=C
CH=C
C=C
ACH
AC
ACCH3
ACCH2
ACCH
OH
CH3OH
H2O
ACOH
CH3CO
CH2CO
CHO
CH3COO
CH2COO
HCOO
CH3O
CH2O
CH-O
FCH2O
CH3NH2
CH2NH2
CHNH2
CH3NH
CH2NH
CHNH
CH3N
CH2N
ACNH2
C5H5N
C5H4N
C5H3N
CH3CN
CH2CN
COOH
HCOOH
CH2Cl
CHCl
CCl
CH2Cl2
CHCl2

Rk
0.9011
0.6744
0.4469
0.2195
1.3454
1.1167
1.1173
0.8886
0.6605
0.5313
0.3652
1.2663
1.0396
0.8121
1.0000
1.4311
0.9200
0.8952
1.6724
1.4457
0.9980
1.9031
1.6764
1.2420
1.1450
0.9183
0.6908
0.9183
1.5959
1.3692
1.1417
1.4337
1.2070
0.9795
1.1865
0.9597
1.0600
2.9993
2.8332
2.6670
1.8701
1.6434
1.3013
1.5280
1.4654
1.2380
1.0060
2.2564
2.0606

Qk
0.848
0.540
0.228
0.000
1.176
0.867
0.988
0.676
0.485
0.400
0.120
0.968
0.660
0.348
1.200
1.432
1.400
0.680
1.488
1.180
0.948
1.728
1.420
1.188
1.088
0.780
0.468
1.100
1.544
1.236
0.924
1.244
0.936
0.624
0.940
0.632
0.816
2.113
1.833
1.553
1.724
1.416
1.224
1.532
1.264
0.952
0.724
1.988
1.684

22
23
23
24
25
26
26
26
27
28
29
29
30
31
32
33
34
34
35
36
37
38
39
39
40
40
40
41
42
42
42
42
43
43
43
44
45
46
47
47
47

50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103

CCl2
CHCl3
CCl3
CCl4
ACCl
CH3NO2
CH2NO2
CHNO2
ACNO2
CS2
CH3SH
CH2SH
FURFURAL
(CH2OH)2
I
BR
CH-trip-C
C-trip-C
Me2SO
ACRY
Cl(C=C)
ACF
DMF-1
DMF-2
CF3
CF2
CF
COO
SiH3
SiH2
SiH
Si
SiH2O
SiHO
SiO
NMP
tert-N
AMIDE
CON(Me)2
CONMeCH2
CON(CH2)2

1.8016
2.8700
2.6401
3.3900
1.1562
2.0086
1.7818
1.5544
1.4199
2.0570
1.8770
1.6510
3.1680
2.4088
1.2640
0.9492
1.2920
1.0613
2.8266
2.3144
0.7910
0.6948
3.0856
2.6322
1.0406
1.0105
0.6150
1.3800
1.6035
1.4443
1.2853
1.0470
1.4838
1.3030
1.0440
3.9810
0.2854
1.4660
2.8590
2.6320
2.4050

1.448
2.410
2.184
2.910
0.844
1.868
1.560
1.248
1.104
1.650
1.676
1.368
2.481
2.248
0.992
0.832
1.088
0.784
2.472
2.052
0.724
0.524
2.736
2.120
1.380
0.920
0.460
1.200
1.263
1.006
0.749
0.410
1.062
0.764
0.466
3.200
0.092
1.336
2.428
2.120
1.812

104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157

158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200

Table over main group interaction parameters a


n
m

Name
CH2
C=C
ACH
ACCH2
OH
CH3OH
H2O
ACOH
CH2CO
CHO
CCOO
HCOO
CH2O
CNH2
CNH2
(C)3N
ACNH2
PYRIDINE
CCN
COOH
CCl
CCl2
CCl3
CCl4
ACCl
CNO2
ACNO2
CS2
CH3SH
FURFURAL
(CH2OH)2
I
Br
C-trip-C
Me2SO
ACRY
ClCC
ACF
DMF
CF2
COO

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44 NMP
45 TERT-N
46 AMIDE
47
48
49

1
CH2
0
-35.36
-11.12
-69.7
156.4
16.51
300
275.8
26.76
505.7
114.8
90.49
83.36
-30.48
65.33
-83.98
1139
-101.6
24.82
315.3
91.46
34.01
36.7
-78.45
-141.3
-32.69
5541
-52.65
-7.481
-25.31
140
128
-31.52
-72.88
50.49
-165.9
47.41
-5.132
-31.95
147.3
529
-34.36
110.2
13.89
272
8960
-11.1
0
0

2
C=C
86.02
0
3.446
-113.6
457
-12.52
496.1
217.5
42.92
56.3
132.1
-62.55
26.51
1.163
-28.7
-25.38
2000
0
-40.62
1264
97.51
18.25
51.06
160.9
-158.8
-1.996
0
16.62
0
0
0
0
0
41.38
422.4
0
124.2
0
249
0
1397
0
0
0
0
-963
0
0
0

3
ACH
61.13
38.81
0
-146.8
89.6
-50
362.3
25.34
140.1
23.39
85.84
1967
52.13
-44.85
-22.31
-223.9
247.5
31.87
-22.97
62.32
4.68
121.3
288.5
-4.7
-237.7
10.38
1824
21.5
28.41
157.3
221.4
58.68
155.6
0
-2.504
0
395.8
-237.2
-133.9
0
317.6
787.9
234.4
-23.88
-288
-63.1
-11.8
0
0

4
ACCH2
76.5
74.15
167
0
25.82
-44.5
377.6
244.2
365.8
106
-170
2347
65.69
0
223
109.9
762.8
49.8
-138.4
268.2
122.9
140.8
33.61
134.7
375.5
-97.05
-127.8
40.68
0
404.3
150.6
0
291.1
0
-143.2
0
0
-157.3
-240.2
0
615.8
191.6
221.8
6.214
-1020
-196
-36.6
0
0

5
OH
986.5
524.1
636.1
803.2
0
249.1
-229.1
-451.6
164.5
-404.8
245.4
191.2
237.7
-164
-150
28.6
-17.4
-132.3
-185.4
-151
562.2
747.7
742.1
856.3
246.9
261.6
561.6
823.5
461.6
521.6
267.6
501.3
721.9
0
-25.87
0
738.9
649.7
64.16
0
88.63
1913
84.85
796.9
0
0
0
0
0

50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

eraction parameters a nm
6
CH3OH
697.2
787.6
637.3
603.2
-137.1
0
289.6
-265.2
108.7
-340.2
249.6
155.7
238.4
-481.7
-500.4
-406.8
-118.1
-378.2
157.8
1020
529
669.9
649.1
860.1
661.6
252.6
0
914.2
382.8
0
0
0
494.7
0
695
0
528
645.9
172.2
0
171
0
0
0
-668
0
0
0
0

7
H2O
1318
270.6
903.8
5695
353.5
-181
0
-601.8
472.5
232.7
200.8
0
-314.7
-330.4
-448.2
-598.8
-367.8
-332.9
242.8
-66.17
698.2
708.7
826.7
1201
920.4
417.9
360.7
1081
0
23.48
-142.1
0
0
0
-240
386.6
0
0
-287.1
0
284.4
0
0
832.2
-1080
0
0
0
0

8
ACOH
1333
526.1
1329
884.9
-259.7
-101.7
324.5
0
-133.1
0
-36.72
0
0
0
0
0
-253.1
-341.6
0
0
0
0
0
10000
0
0
0
0
0
0
838.4
0
0
0
0
0
0
0
0
0
-167.3
0
0
0
0
0
0
0
0

9
CH2CO
476.4
182.6
25.77
-52.1
84
23.39
-195.4
-356.1
0
128
372.2
70.42
191.1
0
0
225.3
-450.3
-51.54
-287.5
-297.8
286.3
423.2
552.1
372
128.1
-142.6
0
303.7
160.6
317.5
0
138
-142.6
443.6
110.4
0
-40.9
0
97.04
0
123.4
992.4
0
0
-435
-444
1530
0
0

10
CHO
677
448.8
347.3
586.6
441.8
306.4
-257.3
0
-37.36
0
185.1
35.35
-7.838
0
0
0
0
0
0
0
-47.51
0
242.8
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
-686
-167
-60.8
0
0

11
CCOO
232.1
37.85
5.994
5688
101.1
-10.72
72.87
-449.4
-213.7
-110.3
0
-261.1
461.3
0
136
0
-294.8
0
-266.6
-256.3
35.38
-132.9
176.5
129.5
-246.3
129.3
0
243.8
0
-146.3
152
21.92
24.37
0
41.57
175.5
16.99
0
0
0
-234.9
0
0
0
-463
0
-466
0
0

12
HCOO
741.4
449.1
-92.55
115.2
193.1
193.4
0
0
-38.47
11.31
372.9
0
0
0
0
0
0
0
0
312.5
0
0
488.9
403.1
0
0
0
0
239.8
0
0
0
0
0
0
0
0
0
0
0
65.37
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

13
CH2O
251.5
214.5
32.14
213.1
28.06
-128.6
540.5
0
-103.6
304.1
-235.7
0
0
0
-49.3
0
0
0
38.81
-338.5
225.4
-197.7
-20.93
113.9
95.5
-94.49
0
112.4
63.71
0
9.207
476.6
736.4
0
-122.1
0
-217.9
167.1
-158.2
0
-247.8
0
0
0
2880
-74.7
0
0
0

14
CNH2
391.5
240.9
161.7
0
83.02
359.3
48.89
0
0
0
0
0
0
0
108.8
38.89
-15.07
0
0
0
0
0
0
261.1
203.5
0
0
0
106.7
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

15
CNH2
225.7
163.9
122.8
-49.29
42.7
266
168
0
0
0
-73.5
0
141.7
63.72
0
865.9
0
0
0
0
0
0
0
91.13
-108.4
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
284.5
0
0
0
0
0
0
0
0

16
(C)3N
206.6
61.11
90.49
23.5
-323
53.9
304
0
-169
0
0
0
0
-41.11
-189.2
0
0
0
0
0
0
-141.4
-293.7
-126
1088
0
0
0
0
0
0
0
0
0
-257.2
0
0
116.5
0
0
0
0
0
0
0
0
0
0
0

17
ACNH2
920.7
749.3
648.2
664.2
-52.39
489.7
-52.29
119.9
6201
0
475.5
0
0
-200.7
0
0
0
0
777.4
0
429.7
0
0
898.2
530.5
0
134.9
0
0
0
255.4
0
0
0
0
0
0
0
343.7
0
-22.1
0
0
0
0
0
0
0
0

18
PYRIDINE
287.7
0
-4.449
52.8
170
580.5
459
-305.5
165.1
0
0
0
0
0
0
0
0
0
134.3
-313.5
0
587.3
18.98
309.2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

19
CCN
597
336.9
212.5
6096
6.712
36.23
112.6
0
481.7
0
494.6
0
-18.51
0
0
0
-281.6
-169.7
0
0
-62.41
258.6
74.04
492
356.9
0.283
0
335.7
125.7
0
0
0
0
329.1
0
-42.31
304
0
0
0
-61.6
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

20
COOH
663.5
318.9
537.4
603.8
199
-289.5
-14.09
0
669.4
0
660.2
-356.3
664.6
0
0
0
0
-153.7
0
0
326.4
339.6
1346
689
0
0
0
0
0
0
0
0
5256
0
150
0
898.2
0
-106.6
0
1179
0
2450
2496
0
0
0
0
0

21
CCl
35.93
204.6
-18.81
-114.1
75.62
-38.32
325.4
0
-191.7
751.9
-34.74
0
301.1
0
0
0
287
0
88.75
44.42
0
-84.53
-157.1
11.8
-314.9
113
0
-73.09
-27.94
0
0
0
1169
0
0
0
428.5
0
0
0
182.2
0
0
0
0
0
0
0
0

22
CCl2
53.76
5.892
-144.4
-111
-112.1
-102.5
370.4
0
-284
0
108.9
0
137.8
0
0
-73.85
0
-351.6
-152.7
120.2
108.3
0
0
17.97
0
0
0
0
0
0
0
-40.82
0
0
-215
0
0
0
0
0
305.4
0
0
0
0
0
0
0
0

23
CCl3
24.9
-13.99
-231.9
-12.14
-98.12
-139.4
353.7
0
-354.6
-483.7
-209.7
-287.2
-154.3
0
0
-352.9
0
-114.7
-15.62
76.75
249.2
0
0
51.9
0
0
0
-26.06
0
48.48
0
21.76
0
0
-343.6
0
-149.8
0
0
0
-193
0
0
0
0
0
0
0
0

24
CCl4
104.3
-109.7
3
-141.3
143.1
-67.8
497.5
1827
-39.2
0
54.47
36.84
47.67
-99.81
71.23
-8.283
882
-165.1
-54.86
212.7
62.42
56.33
-30.1
0
-255.4
-34.68
514.6
-60.71
0
-133.1
0
48.49
225.8
0
-58.43
-85.15
-134.2
-124.6
-186.7
0
335.7
0
70.81
0
0
0
0
0
0

25
ACCl
321.5
393.1
538.2
-126.9
287.8
17.12
678.2
0
174.5
0
629
0
66.15
68.81
4350
-86.36
287.9
0
52.31
0
464.4
0
0
475.8
0
794.4
0
0
0
0
0
0
224
0
0
0
0
0
0
0
1107
0
0
0
0
0
0
0
0

26
CNO2
661.5
357.5
168
3629
256.5
75.14
220.6
0
137.5
0
-81.13
0
95.18
0
0
0
0
0
-0.515
0
32.73
0
0
490.9
-154.5
0
-85.12
0
0
0
481.3
64.28
125.3
174.4
0
0
379.4
0
0
0
-124.7
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

27
ACNO2
543
0
194.9
4448
157.1
0
399.5
0
0
0
0
0
0
0
0
0
-139.3
0
0
0
0
0
0
534.7
0
533.2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

28
CS2
153.6
76.3
52.07
-9.451
477
-31.09
887.1
0
216.1
0
183
0
140.9
0
0
0
0
0
230.9
0
450.1
0
116.6
132.2
0
0
0
0
0
0
0
0
0
0
0
0
167.9
0
0
0
885.5
0
0
0
0
0
0
0
0

29
CH3SH
184.4
0
-10.43
0
147.5
37.84
0
0
-46.28
0
0
4.339
-8.538
-70.14
0
0
0
0
21.37
0
59.02
0
0
0
0
0
0
0
0
0
0
0
0
0
85.7
0
0
0
-71
0
0
0
0
0
0
0
0
0
0

30
FURFURAL
354.5
0
-64.69
-20.36
-120.5
0
188
0
-163.7
0
202.3
0
0
0
0
0
0
0
0
0
0
0
-64.38
546.7
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

31
(CH2OH)2
3025
0
210.4
4975
-318.9
0
13.53
-687.1
0
0
-101.7
0
-20.11
0
0
0
-136.9
0
0
0
0
0
0
0
0
139.8
0
0
0
0
0
0
0
0
535.8
0
0
0
-191.7
0
0
0
0
0
0
0
0
0
0

32
I
335.8
0
113.3
0
313.5
0
0
0
53.59
0
148.3
0
-149.5
0
0
0
0
0
0
0
0
177.6
86.4
247.8
0
304.3
0
0
0
0
0
0
0
0
0
0
0
0
0
0
288.1
0
0
0
0
0
0
0
0

33
Br
479.5
0
-13.59
-171.3
133.4
106.3
0
0
245.2
0
18.88
0
-202.3
0
0
0
0
0
0
-95
-125.9
0
0
41.94
-60.7
10.17
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

34
C-trip-C
298.9
31.14
0
0
0
0
0
0
-246.6
0
0
0
0
0
0
0
0
0
-203
0
0
0
0
0
0
-27.7
0
0
0
0
0
0
0
0
0
0
0
0
6.699
0
0
0
0
0
0
0
0
0
0

35
Me2SO
526.5
-137.4
169.9
4284
-202.1
-399.3
-139
0
-44.58
0
52.08
0
172.1
0
0
243.1
0
0
0
-561.2
0
215
363.7
337.7
0
0
0
0
31.66
0
-417.2
0
0
0
0
0
0
0
136.6
0
-29.34
0
0
0
0
0
0
0
0

36
ACRY
689
0
0
0
0
0
160.8
0
0
0
-28.61
0
0
0
0
0
0
0
81.57
0
0
0
0
369.5
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
-53.91
0
0
0
0
0
0
0
0

37
ClCC
-4.189
-66.46
-259.1
0
225.8
33.47
0
0
-34.57
0
-83.3
0
240.2
0
0
0
0
0
3.509
-11.16
-245.4
0
111.2
187.1
0
10.76
0
-47.37
0
0
0
0
0
0
0
0
0
0
0
0
-198
0
0
0
0
0
0
0
0

38
ACF
125.8
0
389.3
101.4
44.78
-48.25
0
0
0
0
0
0
-273.9
0
0
-196.3
0
0
0
0
0
0
0
215.2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
185.6
0
0
0
0
0
0
0
0
0

39
DMF
485.3
-70.45
245.6
5629
-143.9
-172.4
319
0
-61.7
0
0
0
254.8
0
0
0
-334.4
0
0
-246.5
0
0
0
498.6
0
0
0
0
78.92
0
302.2
0
0
-119.8
-97.71
0
0
0
0
0
0
0
0
0
0
0
0
0
0

40
CF2
-2.859
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
-117.2
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

41
COO
387.1
48.33
103.5
69.26
190.3
165.7
-197.5
-494.2
-18.8
0
560.2
-70.24
417
0
-38.77
0
-89.42
0
120.3
-337
63.67
-96.87
255.8
256.5
-145.1
248.4
0
469.8
0
0
0
68.55
0
0
153.7
423.4
730.8
0
0
0
0
0
0
0
0
0
0
0
0

42

43

-450.4
0
-432.3
683.3
-817.7
0
0
0
0
0
0
0
0
0
0
0
0
0
0
169.3
0
0
0
639.3
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
745.3
0
0
0
0
0
0

252.7
0
238.9
355.5
202.7
0
0
0
0
0
0
0
0
0
0
0
0
0
0
127.2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
-2166
0
0
0
0
0
0
0

44
NMP
220.3
0
30.04
46.38
-504.2
0
-454.2
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

45
TERT-N
383
0
109
1320
0
214
365
0
135
-7.18
-54.6
0
5780
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

46
AMIDE
-1380
2340
75.9
482
0
0
0
0
-1680
333
0
0
131
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

47
729
0
784
386
0
0
0
0
-58
6810
6960
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

48

49

50

51

52

53

54

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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0
0
0
0
0
0
0
0
0
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0
0
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0
0
0
0
0
0
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0
0
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0
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0
0
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0
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0
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0
0
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0
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0
0
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0
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0
0
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0
0
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0
0
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0
0
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0
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0
0
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0
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0
0
0
0
0
0

0
0
0
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0
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0
0
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0
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0
0
0
0
0
0
0
0

55

56

57

58

59

60

61

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
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0
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0
0
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0
0
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0
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0
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0
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0
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0
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0
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0
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0
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0
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0
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0

0
0
0
0
0
0
0
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62

63

64

65

66

67

68

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69

70

71

72

73

74

75

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76

77

78

79

80

81

82

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83

84

85

86

87

88

89

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0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

90

91

92

93

94

95

96

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

97

98

99

100

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

Calculations of the Combinatorial Part of the activity coefficients


ri

qi

li

1
2

#VALUE!
#VALUE!

#VALUE!
#VALUE!

#VALUE!
#VALUE!

10

3
4
5
6
7

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

_j ( rjxj )

8
9
10
11
12

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

_j ( qjxj )

13
14
15

#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!

_j ( ljxj )

#VALUE!

#VALUE!

1
2
3
4
5
6
7
8
9
10

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0

#VALUE!

_i
i

11
12
13
14
15

0
0
0
0
0

0
0
0
0
0

0
0
0
0
0

0
0
0
0
0

0
0
0
0
0

_i
i

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

ln( _i combinatorial part )


i

1
2
3
4
5
6

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

0
0
0
0
0
0

0
0
0
0
0
0

0
0
0
0
0
0

0
0
0
0
0
0

7
8
9
10
11
12
13
14
15

#VALUE!
#VALUE!
#VALUE!
#VALUE!
0
0
0
0
0

0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0

Calculations of the Residual Part of the activity coefficients


x_i*(v_k)
i
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
[xi * (vk)]:

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
0
0
0
0
0
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
0
0
0
0
0
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
0
0
0
0
0
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
0
0
0
0
0
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
0
0
0
0
0
#VALUE!

X_m

Subgroup Main group

m
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###

###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###

Q_m * X_m

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###

###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###
###

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
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activity coefficients

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Calculations of the Residual Part (Pure) of the activit


Subgroup of component
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k\i

1
2
3
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1
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vk of component

X_m (i)
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Q_m*X_m
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2
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#VALUE!
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#VALUE!
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#VALUE!
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#VALUE!
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#VALUE!
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#VALUE!

#VALUE!
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#VALUE!
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#VALUE!
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#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

_m (i)
1
2
3
4
5
6
7
8
9
10
11

_m( _m * _m,k
m\i

1
2
3
4
5
6
7
8
9
10
11

_m [ _m * _k,m / _n (
m\i

1
2
3
4
5
6
7
8

9 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!


10 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!
11 #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

ln ( _k (i)
k\i

1
2
3
4
5
6
7
8
9
10
11

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
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#VALUE!

#VALUE!
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#VALUE!

#VALUE!
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#VALUE!

#VALUE!
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#VALUE!

#VALUE!
#VALUE!
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#VALUE!
#VALUE!

#VALUE!
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#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

ln( _i residual)
i

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

0
0
0
0
0
0
0
0
0
0
0
0
0
0
0

Part (Pure) of the activity coefficients

up of component

10

11

12

13

14

15

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

#VALUE!
#VALUE!
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#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

f component i
9

10

11

12

13

14

15

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
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#VALUE!
#VALUE!

#VALUE!
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#VALUE!

10

11

12

13

14

15

#VALUE!
#VALUE!
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#VALUE!
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#VALUE!

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#VALUE!
#VALUE!
#VALUE!

10

11

12

13

14

15

Q_m*X_m
#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

#VALUE!
#VALUE!
#VALUE!
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10

11

12

13

14

15

#VALUE!
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#VALUE!
#VALUE!

( _m * _m,k )

10

11

12

13

14

15

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
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#VALUE!

#VALUE!
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#VALUE!
#VALUE!
#VALUE!

_k,m / _n ( _n * _n,m ) ]
9

10

11

12

13

14

15

#VALUE!
#VALUE!
#VALUE!
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#VALUE!

#VALUE!
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#VALUE!

#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!


#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!
#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!

ln ( _k (i) )
9

10

11

12

13

14

15

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
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#VALUE!

#VALUE!
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#VALUE!
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#VALUE!
#VALUE!

#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!
#VALUE!

GNU GENERAL PUBLIC LICENSE


Version 2, June 1991
Copyright (C) 1989, 1991 Free Software Foundation, Inc.
675 Mass Ave, Cambridge, MA 02139, USA
Everyone is permitted to copy and distribute verbatim copies
of this license document, but changing it is not allowed.
Preamble
The licenses for most software are designed to take away your
freedom to share and change it. By contrast, the GNU General Public
License is intended to guarantee your freedom to share and change free
software--to make sure the software is free for all its users. This
General Public License applies to most of the Free Software
Foundation's software and to any other program whose authors commit to
using it. (Some other Free Software Foundation software is covered by
the GNU Library General Public License instead.) You can apply it to
your programs, too.
When we speak of free software, we are referring to freedom, not
price. Our General Public Licenses are designed to make sure that you
have the freedom to distribute copies of free software (and charge for
this service if you wish), that you receive source code or can get it
if you want it, that you can change the software or use pieces of it
in new free programs; and that you know you can do these things.
To protect your rights, we need to make restrictions that forbid
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These restrictions translate to certain responsibilities for you if you
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For example, if you distribute copies of such a program, whether
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you have. You must make sure that they, too, receive or can get the
source code. And you must show them these terms so they know their
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We protect your rights with two steps: (1) copyright the software, and
(2) offer you this license which gives you legal permission to copy,
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Also, for each author's protection and ours, we want to make certain
that everyone understands that there is no warranty for this free
software. If the software is modified by someone else and passed on, we
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Finally, any free program is threatened constantly by software


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The precise terms and conditions for copying, distribution and
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GNU GENERAL PUBLIC LICENSE
TERMS AND CONDITIONS FOR COPYING, DISTRIBUTION AND MODIFICATION
0. This License applies to any program or other work which contains
a notice placed by the copyright holder saying it may be distributed
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You may charge a fee for the physical act of transferring a copy, and
you may at your option offer warranty protection in exchange for a fee.
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OTHERWISE STATED IN WRITING THE COPYRIGHT HOLDERS AND/OR OTHER PARTIES
PROVIDE THE PROGRAM "AS IS" WITHOUT WARRANTY OF ANY KIND, EITHER EXPRESSED
OR IMPLIED, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF
MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE. THE ENTIRE RISK AS
TO THE QUALITY AND PERFORMANCE OF THE PROGRAM IS WITH YOU. SHOULD THE
PROGRAM PROVE DEFECTIVE, YOU ASSUME THE COST OF ALL NECESSARY SERVICING,
REPAIR OR CORRECTION.
12. IN NO EVENT UNLESS REQUIRED BY APPLICABLE LAW OR AGREED TO IN WRITING
WILL ANY COPYRIGHT HOLDER, OR ANY OTHER PARTY WHO MAY MODIFY AND/OR
REDISTRIBUTE THE PROGRAM AS PERMITTED ABOVE, BE LIABLE TO YOU FOR DAMAGES,
INCLUDING ANY GENERAL, SPECIAL, INCIDENTAL OR CONSEQUENTIAL DAMAGES ARISING
OUT OF THE USE OR INABILITY TO USE THE PROGRAM (INCLUDING BUT NOT LIMITED
TO LOSS OF DATA OR DATA BEING RENDERED INACCURATE OR LOSSES SUSTAINED BY
YOU OR THIRD PARTIES OR A FAILURE OF THE PROGRAM TO OPERATE WITH ANY OTHER
PROGRAMS), EVEN IF SUCH HOLDER OR OTHER PARTY HAS BEEN ADVISED OF THE
POSSIBILITY OF SUCH DAMAGES.
END OF TERMS AND CONDITIONS
Appendix: How to Apply These Terms to Your New Programs
If you develop a new program, and you want it to be of the greatest
possible use to the public, the best way to achieve this is to make it
free software which everyone can redistribute and change under these terms.
To do so, attach the following notices to the program. It is safest
to attach them to the start of each source file to most effectively
convey the exclusion of warranty; and each file should have at least
the "copyright" line and a pointer to where the full notice is found.
<one line to give the program's name and a brief idea of what it does.>
Copyright (C) 19yy <name of author>
This program is free software; you can redistribute it and/or modify
it under the terms of the GNU General Public License as published by
the Free Software Foundation; either version 2 of the License, or
(at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.

You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 675 Mass Ave, Cambridge, MA 02139, USA.
Also add information on how to contact you by electronic and paper mail.
If the program is interactive, make it output a short notice like this
when it starts in an interactive mode:
Gnomovision version 69, Copyright (C) 19yy name of author
Gnomovision comes with ABSOLUTELY NO WARRANTY; for details type `show w'.
This is free software, and you are welcome to redistribute it
under certain conditions; type `show c' for details.
The hypothetical commands `show w' and `show c' should show the appropriate
parts of the General Public License. Of course, the commands you use may
be called something other than `show w' and `show c'; they could even be
mouse-clicks or menu items--whatever suits your program.
You should also get your employer (if you work as a programmer) or your
school, if any, to sign a "copyright disclaimer" for the program, if
necessary. Here is a sample; alter the names:
Yoyodyne, Inc., hereby disclaims all copyright interest in the program
`Gnomovision' (which makes passes at compilers) written by James Hacker.
<signature of Ty Coon>, 1 April 1989
Ty Coon, President of Vice
This General Public License does not permit incorporating your program into
proprietary programs. If your program is a subroutine library, you may
consider it more useful to permit linking proprietary applications with the
library. If this is what you want to do, use the GNU Library General
Public License instead of this License.