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This piece of software is to predict
bond distances in crystals. It helps to verify structure
solutions, but also in more challenging
tasks such as locating lattice-induced strains (cf.
'Method in detail' below). To begin you will pick
up atoms forming your structure from Table of Elements
and define number of bonds between them. The program
uses Bond Valence Method (BVM, also known as I.D.Brown
method) based on empirical [bond valence]-[bond length]
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| and modified second Pauling rule, demanding a local
balance of valences.
More about underlying
principles:
I.D.Brown,
Acta Cryst. B33 (1977) 1305-1310 (PDF, 0.6 Mb)
See also topic Method
in Detail
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Operating system requirements
Microsoft Windows ®
3.11 and later. (!)There have been reports that Wizard does not work with 64-bit Windows.
Download (free of charge)
All-in-one
archive (zip, 428 Kb)
or separately:
How to Start
Just save all the files anywhere
you want them to dwell, run bondval.exe and
enjoy !
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To get familiar with Bond Valence Wizard, you might
wish to read
Hypertext On-line User's Guide
or
Download User's Guide
as PDF file (230 Kb)
Disclaimer
Although Wizard has been tested by the authors
on a number different systems and computers no warranty
is made as to the functioning and accuracy of the
programs and their descriptions. However the authors
will greatly appreciate being informed of discrepancies
in the programs or desirable options not currently
included..
You've got the message ;-)) - if your Wizard
has a bug - simply let
us know !
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 This
is Flash presentation about Bond Valence Model in general.
Click on the image to run the show in new browser
window. or download this Flash roll to your local
computer as:
To play the presentation locally after downloading
drag the file into your browser window (if SWF) or
click twice on the file to run (if EXE). Click the
first screen and use ENTER to go through.
See also:
[1]Underlying Principles in I.D.Brown,
Acta Cryst. B33 (1977) 1305-1310 (PDF, 0.6 Mb)
[2] Method In-depth and Applications in
V.Urusov and I.Orlov, Cryst.Reports 44, (1999) 4,
686-709 (PDF, 2.67 Mb)
[3] Software Description in
I.Orlov etc., Journal of Structural Chemistry 39 (1998),
4, 575-579 ( PDF, 1.2 Mb)
-
Dr. Stefan Adams Page about BVM
-
Software for BV Calculations on CCP14 |
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