User contributions for Nf710

17 November 2017

• 09:5509:55, 17 November 2017 diff hist +77 Rep:Mod:RLJ15TS →MO Analysis:
• 09:5409:54, 17 November 2017 diff hist +141 Rep:Mod:RLJ15TS →Thermochemistry Analysis:
• 09:4409:44, 17 November 2017 diff hist +81 Rep:Mod:RLJ15TS →Computational Methods used in this lab:
• 09:4409:44, 17 November 2017 diff hist +323 Rep:Mod:RLJ15TS →Exercise 1: Reaction of Butadiene with Ethylene
• 09:3709:37, 17 November 2017 diff hist +319 Rep:Mod:RLJ15TS →How would a frequency calculation confirm a structure is at either of these points?
• 09:3509:35, 17 November 2017 diff hist +313 Rep:Mod:RLJ15TS →How would a frequency calculation confirm a structure is at either of these points?
• 09:3009:30, 17 November 2017 diff hist +244 Rep:Mod:milandeleevTS →Exercise Three
• 09:2909:29, 17 November 2017 diff hist +259 Rep:Mod:milandeleevTS →Analysing the Results
• 09:1909:19, 17 November 2017 diff hist +421 Rep:Mod:milandeleevTS →Exercise One
• 00:2200:22, 17 November 2017 diff hist +47 Rep:TransitionStates-HYT215 →Introduction
• 00:2100:21, 17 November 2017 diff hist +253 Rep:TransitionStates-HYT215 →Exercise 3: Diels-Alder vs Cheletropic
• 00:1500:15, 17 November 2017 diff hist +221 Rep:TransitionStates-HYT215 →Exercise 1: Reaction of Butadiene with Ethylene
• 00:1200:12, 17 November 2017 diff hist +282 Rep:TransitionStates-HYT215 →Introduction
• 00:0500:05, 17 November 2017 diff hist +317 Rep:Jir15comp2017 →Part 3: Diels-Alder vs Cheletropic
• 00:0100:01, 17 November 2017 diff hist +196 Rep:Jir15comp2017 →Secondary orbital interactions

16 November 2017

• 23:5923:59, 16 November 2017 diff hist +301 Rep:Jir15comp2017 →Part 1: Diels-Alder reaction of butadiene and ethene diagram
• 23:5123:51, 16 November 2017 diff hist +157 Rep:Mod:ts exercise sp3815 →Exercise 3: Diels-Alder vs Cheletropic
• 23:4523:45, 16 November 2017 diff hist +143 Rep:Mod:ts exercise sp3815 →Thermochemistry
• 23:4123:41, 16 November 2017 diff hist +430 Rep:Mod:ts exercise sp3815 →Introduction
• 12:1012:10, 16 November 2017 diff hist +236 Rep:Error9999 →Exercise 3: Diels-Alder vs Cheletropic
• 11:5511:55, 16 November 2017 diff hist +188 Rep:Error9999 →Exercise 1: Reaction of Butadiene with Ethylene
• 11:3711:37, 16 November 2017 diff hist +241 Rep:Mod:ts cyy113 →Reaction Barriers and Reaction Energies
• 11:1111:11, 16 November 2017 diff hist +127 Rep:Mod:ts cyy113 →Introduction
• 09:5909:59, 16 November 2017 diff hist +304 Rep:Mod:ts cyy113 →Introduction
• 09:5509:55, 16 November 2017 diff hist +29 Rep:Mod:sg3415TS →Key file links
• 09:5309:53, 16 November 2017 diff hist +272 Rep:Mod:sg3415TS →Exercise 3: Diels-Alder vs Cheletropic
• 09:4609:46, 16 November 2017 diff hist +438 Rep:Mod:sg3415TS →Method
• 09:3409:34, 16 November 2017 diff hist +294 Rep:Mod:sg3415TS →Minima

8 November 2017

• 00:4800:48, 8 November 2017 diff hist +222 MRD:TTY115 Y3 →Exercise 3 current
• 00:4400:44, 8 November 2017 diff hist +100 MRD:TTY115 Y3 →Activation and Reaction Energies
• 00:3600:36, 8 November 2017 diff hist +602 MRD:TTY115 Y3 →Introduction
• 00:2600:26, 8 November 2017 diff hist +341 Rep:Yrt13 TS →Exercise 3
• 00:2100:21, 8 November 2017 diff hist +203 Rep:Yrt13 TS →Questions
• 00:1200:12, 8 November 2017 diff hist +453 Rep:Yrt13 TS →Exercise 1
• 00:0500:05, 8 November 2017 diff hist +250 Rep:Transition states (st4215): Exercise 2 →Conclusion
• 00:0100:01, 8 November 2017 diff hist +145 Rep:Transition states (st4215): Exercise 2 →Energy analysis

7 November 2017

• 23:5123:51, 7 November 2017 diff hist +423 Rep:Transition states (st4215) →Introduction
• 23:4723:47, 7 November 2017 diff hist +136 Rep:Transition states (st4215) →Introduction
• 23:4423:44, 7 November 2017 diff hist +349 Rep:Llt15 TS 2 →Additional information
• 23:3123:31, 7 November 2017 diff hist +128 Rep:Llt15 TS 2 →Is this a normal or inverse demand DA reaction?
• 23:2523:25, 7 November 2017 diff hist +102 Rep:Llt15 TS →Exercise 1: Cycloaddition of Butadiene and Ethylene
• 23:2223:22, 7 November 2017 diff hist +286 Rep:Llt15 TS →Exercise 1: Cycloaddition of Butadiene and Ethylene
• 23:0823:08, 7 November 2017 diff hist +442 Rep:Mod:rs7913TS →Xylylene-SO2 Cycloaddition
• 22:4722:47, 7 November 2017 diff hist +437 Rep:Mod:rs7913TS →Introduction

9 June 2017

• 15:4615:46, 9 June 2017 diff hist +200 MRD:cyy113 MRDLab →Analysis current
• 15:4315:43, 9 June 2017 diff hist +278 MRD:cyy113 MRDLab →Analysis
• 15:3815:38, 9 June 2017 diff hist +154 MRD:cyy113 MRDLab →Analysis
• 15:3615:36, 9 June 2017 diff hist +126 MRD:cyy113 MRDLab →Analysis
• 15:2315:23, 9 June 2017 diff hist +195 MRD:cyy113 MRDLab →Initial Run
• 14:4414:44, 9 June 2017 diff hist +303 MRD:Na2615 →Polanyi's empirical rules