User contributions for Js1007
21 February 2010
- 19:3619:36, 21 February 2010 diff hist +331 Rep:Mod:js1007physical →Part e: Optimising the boat transition structure
- 19:2719:27, 21 February 2010 diff hist +79 Rep:Mod:js1007physical →Part e: Optimising the boat transition structure
- 18:5218:52, 21 February 2010 diff hist +94 Rep:Mod:js1007physical →Part c and d: Optimising the starting structure using the frozen coordinate method
- 18:5118:51, 21 February 2010 diff hist +2 Rep:Mod:js1007physical →Part c and d: Optimising the starting structure using the frozen coordinate method
- 18:5118:51, 21 February 2010 diff hist +2 Rep:Mod:js1007physical →Part c and d: Optimising the starting structure using the frozen coordinate method
- 18:5018:50, 21 February 2010 diff hist 0 Rep:Mod:js1007physical →Part b: Optimising the starting structure to a TS(Berny)
- 18:5018:50, 21 February 2010 diff hist +533 Rep:Mod:js1007physical →Optimizing the "Chair" and "Boat" Transition Structures
- 18:4018:40, 21 February 2010 diff hist +74 Rep:Mod:js1007physical →Optimizing the "Chair" and "Boat" Transition Structures
- 18:3718:37, 21 February 2010 diff hist +378 Rep:Mod:js1007physical →Optimizing the "Chair" and "Boat" Transition Structures
- 18:3218:32, 21 February 2010 diff hist 0 Rep:Mod:js1007physical →Part c: OPtimising the starting structure using the frozen coordinate method
- 18:2918:29, 21 February 2010 diff hist +94 Rep:Mod:js1007physical →Part b: Optimising the starting structure to a TS(Berny)
- 18:2418:24, 21 February 2010 diff hist +109 Rep:Mod:js1007physical →Part b: Optimising the starting structure to a TS(Berny)
- 18:2018:20, 21 February 2010 diff hist +91 Rep:Mod:js1007physical →Part b: Optimising the starting structure to a TS(Berny)
- 18:1718:17, 21 February 2010 diff hist +353 Rep:Mod:js1007physical →Part b: Optimising the starting structure to a TS(Berny)
- 18:1218:12, 21 February 2010 diff hist 0 Rep:Mod:js1007physical →Part a: Drawing an allyl fragment (CH<sub>2</sub>CHCH<sub>2</sub>), optimising it and using it to then form a reasonably good starting structure for finding transition states
- 18:1118:11, 21 February 2010 diff hist +185 Rep:Mod:js1007physical →Part a: Drawing an allyl fragment (CH<sub>2</sub>CHCH<sub>2</sub>), optimising it and using it to then form a reasonably good starting structure for finding transition states
- 18:0318:03, 21 February 2010 diff hist +174 Rep:Mod:js1007physical →Part a: Drawing an allyl fragment (CH<sub>2</sub>CHCH<sub>2</sub>), optimising it and using it to then form a reasonably good starting structure for finding transition states
- 17:3517:35, 21 February 2010 diff hist +504 Rep:Mod:js1007physical →Optimizing the "Chair" and "Boat" Transition Structures
- 17:2417:24, 21 February 2010 diff hist +134 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 17:2117:21, 21 February 2010 diff hist +150 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 17:0917:09, 21 February 2010 diff hist −852 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 17:0817:08, 21 February 2010 diff hist +171 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:5516:55, 21 February 2010 diff hist +644 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:4616:46, 21 February 2010 diff hist −2,401 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:4416:44, 21 February 2010 diff hist 0 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:3916:39, 21 February 2010 diff hist +116 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:3616:36, 21 February 2010 diff hist 0 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:3616:36, 21 February 2010 diff hist +331 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:2616:26, 21 February 2010 diff hist +251 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:2316:23, 21 February 2010 diff hist +13 Rep:Mod:js1007physical →Part g: Running a frequency calculation on the optimised B3LYP/6-31G* anti (2) structure of 1,5-hexadiene
- 16:2116:21, 21 February 2010 diff hist −234 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 16:1216:12, 21 February 2010 diff hist +358 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 16:0316:03, 21 February 2010 diff hist +1 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:5315:53, 21 February 2010 diff hist +1 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:5015:50, 21 February 2010 diff hist +93 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:4715:47, 21 February 2010 diff hist +39 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:4515:45, 21 February 2010 diff hist +9 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:4415:44, 21 February 2010 diff hist 0 Rep:Mod:js1007physical →Part b and c: Drawing and optimising a molecule of 1,5-hexadiene with a "gauche" linkage and predicting the lowest energy conformation of 1,5-hexadiene
- 15:4115:41, 21 February 2010 diff hist +11 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:3715:37, 21 February 2010 diff hist +102 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:3515:35, 21 February 2010 diff hist +180 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:3115:31, 21 February 2010 diff hist +541 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:2715:27, 21 February 2010 diff hist +5 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
- 15:2615:26, 21 February 2010 diff hist 0 N File:Js1007antif.jpg No edit summary current
- 15:2615:26, 21 February 2010 diff hist 0 N File:Js1007antiecorrect.jpg No edit summary current
- 15:2615:26, 21 February 2010 diff hist 0 N File:Js1007antie.jpg No edit summary current
- 15:0615:06, 21 February 2010 diff hist 0 Rep:Mod:js1007physical →Part b and c: Drawing and optimising a molecule of 1,5-hexadiene with a "gauche" linkage and predicting the lowest energy conformation of 1,5-hexadiene
- 15:0615:06, 21 February 2010 diff hist −2 Rep:Mod:js1007physical →Part a: Drawing and optimising 1,5-hexadiene with an "anti" linkage
- 15:0615:06, 21 February 2010 diff hist −2 Rep:Mod:js1007physical →Part b and c: Drawing and optimising a molecule of 1,5-hexadiene with a "gauche" linkage and predicting the lowest energy conformation of 1,5-hexadiene
- 15:0515:05, 21 February 2010 diff hist +11 Rep:Mod:js1007physical →Part e and f: Drawing and optimising the "anti (2)" structure of 1,5-hexadiene using different approximations
