User contributions for Rzepa
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28 August 2013
- 14:2214:22, 28 August 2013 diff hist −21 Mod:avogadro →Strategy
- 14:0014:00, 28 August 2013 diff hist −6 Mod:organic →Troubleshooting
- 13:5913:59, 28 August 2013 diff hist +28 Mod:organic →Creating a Molecule input file
- 13:5813:58, 28 August 2013 diff hist +7 Mod:organic →Creating a Molecule input file
- 13:5613:56, 28 August 2013 diff hist −11 Mod:organic →==
- 13:5513:55, 28 August 2013 diff hist +86 Mod:organic /* Analyzing the NMR Chemical Shift calculationA recent development is an enhanced technique for accurately computing 1H chemical shifts:{{DOI|10.1021/jo900482q}},Goodman has produced some interesting tools for aiding NMR analysis;{{DOI|10.1021/jo900
- 13:5313:53, 28 August 2013 diff hist −20 Mod:organic →Creating a Molecule input file
- 13:5313:53, 28 August 2013 diff hist +90 Mod:organic →Creating a Molecule input file
- 13:4913:49, 28 August 2013 diff hist +20 Mod:organic →Creating a Molecule input file
- 13:4813:48, 28 August 2013 diff hist +28 Mod:organic →Predicting the 1H and 13C NMR Spectrum of a compound
- 13:4713:47, 28 August 2013 diff hist −1 Mod:organic /* Analyzing the NMR Chemical Shift calculationA recent development is an enhanced technique for accurately computing 1H chemical shifts:{{DOI|10.1021/jo900482q}},Goodman has produced some interesting tools for aiding NMR analysis;{{DOI|10.1021/jo900
- 13:4713:47, 28 August 2013 diff hist −27 Mod:organic →Troubleshooting
- 13:4513:45, 28 August 2013 diff hist +459 Mod:organic →Analyzing the NMR Chemical Shift calculation
- 13:4213:42, 28 August 2013 diff hist −480 Mod:organic →References for chemical shifts
- 13:4113:41, 28 August 2013 diff hist +4 Mod:organic →Submitting this file to the HPC for geometry optimization
- 13:4013:40, 28 August 2013 diff hist +13 Mod:organic →Files for your /wiki write-up
- 13:4013:40, 28 August 2013 diff hist +1 Mod:organic →Procedure using the Laptop
- 13:3913:39, 28 August 2013 diff hist −1 Mod:organic →Procedure using the Laptop
- 13:3813:38, 28 August 2013 diff hist +1 Mod:organic →Procedure using the Laptop
- 13:3813:38, 28 August 2013 diff hist +1 Mod:organic →Procedure using the Laptop
- 13:3713:37, 28 August 2013 diff hist −2 Mod:organic →Procedure using the Laptop
- 13:3613:36, 28 August 2013 diff hist +21 Mod:organic →Procedure using the Laptop
- 13:3413:34, 28 August 2013 diff hist −27 Mod:organic →Procedure using the Laptop
- 13:2413:24, 28 August 2013 diff hist +61 Mod:organic →Procedure using the HPC
- 13:2413:24, 28 August 2013 diff hist −61 Mod:organic →Procedure using the Laptop
- 13:2313:23, 28 August 2013 diff hist −37 Mod:organic →Procedure using the HPC
- 13:2313:23, 28 August 2013 diff hist +31 Mod:organic →Procedure using the Laptop
- 13:2213:22, 28 August 2013 diff hist +25 Mod:organic →Procedure using the HPC
- 13:2013:20, 28 August 2013 diff hist 0 N File:DG.jpeg No edit summary current
- 13:1513:15, 28 August 2013 diff hist −3 Mod:organic →Procedure for the VCD (Vibrational circular dichroism) spectrum.
- 13:1413:14, 28 August 2013 diff hist +24 Mod:organic →Procedure for the VCD (Vibrational circular dichroism) spectrum.
- 13:1413:14, 28 August 2013 diff hist +28 Mod:organic →Procedure for the VCD (Vibrational circular dichroism) spectrum.
- 13:1313:13, 28 August 2013 diff hist +24 Mod:organic →Creating a Molecule input file
- 13:1213:12, 28 August 2013 diff hist +24 Mod:organic →Procedure using the HPC
- 13:1213:12, 28 August 2013 diff hist +157 Mod:organic →A practice molecule: Spectroscopy of an intermediate related to the synthesis of Taxol
- 12:0012:00, 28 August 2013 diff hist −2 Mod:organic →The software available to you
- 11:5511:55, 28 August 2013 diff hist −2 Mod:organic →Conformational analysis using Molecular Mechanics (~2 days, Part 1).
- 11:5411:54, 28 August 2013 diff hist +15 Mod:organic No edit summary
- 11:5311:53, 28 August 2013 diff hist −4 Mod:organic No edit summary
- 11:5211:52, 28 August 2013 diff hist +32 Mod:organic →Objective
- 11:5111:51, 28 August 2013 diff hist +18 Mod:organic →Analysis of the properties of the synthesised alkene epoxides (~ 3-4 days, part 2)
- 11:5011:50, 28 August 2013 diff hist +4 Mod:organic No edit summary
- 11:5011:50, 28 August 2013 diff hist +35 Mod:organic No edit summary
- 11:4811:48, 28 August 2013 diff hist −2 Mod:organic No edit summary
- 11:4711:47, 28 August 2013 diff hist +7 Mod:organic No edit summary
- 11:4611:46, 28 August 2013 diff hist −3 Mod:organic No edit summary
- 11:4511:45, 28 August 2013 diff hist +38 Mod:organic No edit summary
- 11:4411:44, 28 August 2013 diff hist −23 Mod:organic No edit summary
- 11:4411:44, 28 August 2013 diff hist −2 Mod:organic No edit summary
- 11:4311:43, 28 August 2013 diff hist +18 Mod:organic →==