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User contributions for Lmt09

Results for Lmt09 talk block log uploads logs

A user with 358 edits. Account created on 15 October 2009.

22:3022:30, 20 March 2014 diff hist +82 Visualizing High Model Orbitals →Aim current

01:2401:24, 11 February 2014 diff hist 0 File:Lepsgui.m uploaded a new version of "File:Lepsgui.m" current
01:2301:23, 11 February 2014 diff hist 0 File:Lepsgui.fig uploaded a new version of "File:Lepsgui.fig" current

17:3117:31, 10 September 2013 diff hist +167 Gaussian Bugs and Issues →CASSCF

18:2118:21, 20 February 2013 diff hist +111 Computing Transition States in ONIOM No edit summary current
18:2018:20, 20 February 2013 diff hist +188 Computing Transition States in ONIOM No edit summary
18:1718:17, 20 February 2013 diff hist +634 N Computing Transition States in ONIOM Created page with "This documents list the method I use for finding TSs with ONIOM. 1. Run a scan over the TS coordinate.<br\> If you get any discontinuities instead of a smooth curve around where..."
18:1218:12, 20 February 2013 diff hist +46 ONIOM →Tutorials current

15:5115:51, 9 January 2013 diff hist +183 Mod:phys3 →Optimizing the "Chair" and "Boat" Transition Structures
14:4514:45, 9 January 2013 diff hist +6 Gaussian Bugs and Issues →Modredundant
14:4514:45, 9 January 2013 diff hist +363 Gaussian Bugs and Issues No edit summary
12:3412:34, 9 January 2013 diff hist +395 Gaussian Bugs and Issues →CASSCF

15:3215:32, 10 December 2012 diff hist +170 Gaussian Bugs and Issues →CASSCF

12:2012:20, 29 November 2012 diff hist +1 Gaussian Bugs and Issues No edit summary
12:1912:19, 29 November 2012 diff hist +280 N Gaussian Bugs and Issues Created page with "==Gaussian Bugs and Issues== Section to place any suspected bugs and errors ===CASSCF=== Quartic linear search updated in l103 seems to change which inital CASSCF guess is rea..."
12:1012:10, 29 November 2012 diff hist +38 Resgrp:comp-photo →Example Calculations / Tutorials

16:4616:46, 26 November 2012 diff hist +1,660 Resgrg:comp-photo-version control-codes →ONIOM Freq current

18:0318:03, 29 October 2012 diff hist −6 Mod:phys3 →Optimizing the Reactants and Products
18:0218:02, 29 October 2012 diff hist −139 Mod:phys3 →Optimizing the "Chair" and "Boat" Transition Structures

11:0711:07, 5 September 2012 diff hist 0 Guide to Creating ONIOM input files for biomolecules →Producing a Gaussian Input File
11:0711:07, 5 September 2012 diff hist +2 Guide to Creating ONIOM input files for biomolecules →Producing a Gaussian Input File
11:0611:06, 5 September 2012 diff hist +98 Guide to Creating ONIOM input files for biomolecules →Producing a Gaussian Input File
11:0311:03, 5 September 2012 diff hist +82 Visualizing High Model Orbitals →Aim
11:0211:02, 5 September 2012 diff hist +142 Visualizing High Model Orbitals No edit summary
10:5410:54, 5 September 2012 diff hist −4 Resgrp:utilities →gregap
10:5210:52, 5 September 2012 diff hist 0 File:Gregap.tar.gz uploaded a new version of "File:Gregap.tar.gz" current
10:5110:51, 5 September 2012 diff hist +63 Resgrp:utilities No edit summary

10:1010:10, 18 May 2012 diff hist +4 Resgrp:utilities →GREGAP
10:0910:09, 18 May 2012 diff hist 0 N File:Gregap 1-0.txt No edit summary current
10:0810:08, 18 May 2012 diff hist −3 Resgrp:utilities →GREGAP
10:0610:06, 18 May 2012 diff hist +4 Resgrp:utilities →GREGAP
10:0310:03, 18 May 2012 diff hist +34 Resgrp:utilities →GREGAP

14:3114:31, 17 May 2012 diff hist +21 N File:Gregap.tar.gz contains gregap files
14:3014:30, 17 May 2012 diff hist +207 Resgrp:utilities No edit summary
13:5813:58, 17 May 2012 diff hist +215 Resgrp:utilities No edit summary
13:4313:43, 17 May 2012 diff hist +1,842 Resgrp:utilities No edit summary

17:4917:49, 12 March 2012 diff hist +83 Resgrp:comp-photo/VB No edit summary

14:1714:17, 19 January 2012 diff hist +22 Y2s-spring-azulene →Facilities and support

16:5716:57, 9 January 2012 diff hist −11 Y2s-spring-azulene →Predicting UV/Vis spectra
16:5416:54, 9 January 2012 diff hist +1 Y2s-spring-azulene →Optimizing the structure
16:4616:46, 9 January 2012 diff hist +944 Y2s-spring-azulene →Introduction to the Gaussian Workflow

15:4815:48, 10 August 2011 diff hist +1 Guide to Creating ONIOM input files for biomolecules →Creating Standarized .pdb Files

15:2815:28, 1 July 2011 diff hist 0 N File:Male loc.log No edit summary current
15:2815:28, 1 July 2011 diff hist 0 N File:Male loc.gjf No edit summary current
15:1815:18, 1 July 2011 diff hist 0 N File:TS male cyc.jpg No edit summary current
15:1715:17, 1 July 2011 diff hist +7,670 N Visualizing High Model Orbitals New page: ==Visualizing High Model Orbitals== ===Aim=== When using ONIOM we are often interested in the effect of an environment on the model compound. For this reason it is often useful to visuali...

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