Diff: tsscds wiki
Differences between version 2 and predecessor to the previous major change of tsscds wiki.
Other diffs: Previous Revision, Previous Author
| Newer page: | version 2 | Last edited on 15 March 2018 13:49 | by Emilio Martinez Nuñez | Revert |
| Older page: | version 1 | Last edited on 15 March 2018 13:13 | by The PhpWiki programming team | Revert |
@@ -1,16 +1,26 @@
{{colorbox
-|text=<strong>Welcome to the wiki dedicated to your project!
</strong>
+|text=<strong>== transition state search using chemical dynamics simulations ==
</strong>
|color=#90EE90
|bordercolor=green
}}
-!! What is a wiki?
-The wiki will allow you to easily create web pages to share information about your project
.
+This program discovers reaction mechanisms and solves the kinetics in an automated fashion
. TS guess structures are obtained from accelerated trajectory simulations, and minima/products from the IRC. Finally, the kinetics is solved using KMC
-* For the syntax
, see [Formatting Rules|Help
/TextFormattingRules]
.
-* Use the [SandBox] page to experiment with Wiki pages
.
-* See [RecentChanges] for the latest page additions and changes
.
-* Find out which pages are [MostPopular]
.
-* Administer this wiki via
[PhpWikiAdministration]
.
-* Configure your
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|UserPreferences
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+//Main developer:// \\
+Emilio Martínez-Núñez\\
+Departamento de Química Física
, Facultade de Química\\
+Avda. das Ciencias s
/n\\
+15782 Santiago de Compostela, SPAIN\\
+//emilio
.nunez@usc.es//
+
+
+//With contributions from://\\
+George L
. Barnes\\
+Aurelio Rodríguez\\
+Roberto Rodríguez-Fernández\\
+James J
. P. Stewart\\
+Saulo A
. Vázquez
+
+[tutorial | http://forge
.cesga.es/frs/?group_id=77&release_id=21]\\
+[publications
| http://webspersoais.usc.es/persoais/emilio.nunez/Publications.html
]
version 2
<strong>==" |
This program discovers reaction mechanisms and solves the kinetics in an automated fashion. TS guess structures are obtained from accelerated trajectory simulations, and minima/products from the IRC. Finally, the kinetics is solved using KMC
Main developer:
Emilio Martínez-Núñez
Departamento de Química Física, Facultade de Química
Avda. das Ciencias s/n
15782 Santiago de Compostela, SPAIN
emilio.nunez@usc.es
With contributions from:
George L. Barnes
Aurelio Rodríguez
Roberto Rodríguez-Fernández
James J. P. Stewart
Saulo A. Vázquez
tutorial