User contributions for Dap207

14:3114:31, 16 December 2009 diff hist +99 N File:Imaginary frequency corresponding to Cope rearrangement in the chair transition state structure.jpg Imaginary_frequency_corresponding_to_Cope_rearrangement_in_the_chair_transition_state_structure.jpg current
14:3114:31, 16 December 2009 diff hist +108 N File:Optimised Transition State geometry obtained from force constant matrix computation (ts chair opt freq1).jpg Optimised_Transition_State_geometry_obtained_from_force_constant_matrix_computation_(ts_chair_opt_freq1).jpg current
14:2914:29, 16 December 2009 diff hist +60 N File:Guess for the chairtransition structure (ts chair guess).jpg Guess_for_the_chairtransition_structure_(ts_chair_guess).jpg current
14:2914:29, 16 December 2009 diff hist +60 N File:Allyl fragment CH2CHCH2 (TRANSITIONSTATE ALLYL FRAGMENT).jpg Allyl_fragment_CH2CHCH2_(TRANSITIONSTATE_ALLYL_FRAGMENT).jpg current
14:2814:28, 16 December 2009 diff hist +68 N File:Different energy data obtained from the output .jpg Table summarising the Different_energy_data_obtained_from_the_output current
14:2714:27, 16 December 2009 diff hist +26 N File:IR spectrum of react anti2.jpg IR_spectrum_of_react_anti2 current
14:2614:26, 16 December 2009 diff hist +59 N File:React anti2 B3LYP 6-31G.jpg Table for react_anti2 using the B3LYP/6-31G level of theory current
14:2514:25, 16 December 2009 diff hist +21 N File:React anti2.jpg Table for react_anti2 current
14:2414:24, 16 December 2009 diff hist +23 N File:React gauche4.jpg Table for react_gauche4 current
14:2414:24, 16 December 2009 diff hist +20 N File:React anti.jpg Table for react_anti
14:2214:22, 16 December 2009 diff hist −1,746 Rep:Mod3TRANSITIONSTRUCTURES:DanielPohoryles No edit summary
14:1214:12, 16 December 2009 diff hist +19,095 N Rep:Mod3TRANSITIONSTRUCTURES:DanielPohoryles New page: Normal 0 false false false EN-US X-NONE GU Optimizing the Reactants and Products 1,5-hexadiene with anti-linkage was drawn on gaussview, t...

19:2419:24, 8 December 2009 diff hist −2,102 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →Miniproject – Computational investigation of bonding in Metal-butadiene complexes
19:1619:16, 8 December 2009 diff hist +2,952 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →Miniproject – Computational investigation of bonding in Metal-butadiene complexes
19:1519:15, 8 December 2009 diff hist +55 N File:CO stretches on the IR spectrum of D. (C4H4)Fe(CO)3.JPG CO_stretches_on_the_IR_spectrum_of_D._(C4H4)Fe(CO)3.JPG current
19:1419:14, 8 December 2009 diff hist +55 N File:CO stretches on the IR spectrum of A. (C4H6)Fe(CO)3.JPG CO_stretches_on_the_IR_spectrum_of_A._(C4H6)Fe(CO)3.JPG current
19:1419:14, 8 December 2009 diff hist +40 N File:Frontier MO diagram of (C4H4)Fe(CO)3.JPG Frontier_MO_diagram_of_(C4H4)Fe(CO)3.JPG current
19:1319:13, 8 December 2009 diff hist +26 N File:D. (C4H4)Fe(CO)3 table.JPG D._(C4H4)Fe(CO)3_table.JPG current
19:1319:13, 8 December 2009 diff hist +19 N File:D Fe(CO)3(C4H4).mol D_Fe(CO)3(C4H4).mol current
19:1119:11, 8 December 2009 diff hist +54 N File:Frontier Molecular orbitals of free cyclobutadiene.JPG Frontier_Molecular_orbitals_of_free_cyclobutadiene.JPG current
19:1019:10, 8 December 2009 diff hist +49 N File:Summary of the first part of the Mini Project.JPG Summary_of_the_first_part_of_the_Mini_Project.JPG current
19:1019:10, 8 December 2009 diff hist +118 N File:Molecular orbitals of the butadiene ligand, as obtained from computational results and as expected from MO theory..JPG Molecular_orbitals_of_the_butadiene_ligand,_as_obtained_from_computational_results_and_as_expected_from_MO_theory..JPG current
19:0919:09, 8 December 2009 diff hist +30 N File:C. (C5H5)Ta(C4H6)Cl2 table.JPG C._(C5H5)Ta(C4H6)Cl2_table.JPG current
19:0819:08, 8 December 2009 diff hist +23 N File:C (C5H5)Ta(C4H6)Cl2.mol C_(C5H5)Ta(C4H6)Cl2.mol current
19:0619:06, 8 December 2009 diff hist +26 N File:B. Fe(CO)3(C4H6) table.JPG B._Fe(CO)3(C4H6)_table.JPG current
19:0619:06, 8 December 2009 diff hist +19 N File:B Fe(CO)3(C4H6).mol B_Fe(CO)3(C4H6).mol current
19:0519:05, 8 December 2009 diff hist −94 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →A. Rh(C4H6)2Cl
19:0319:03, 8 December 2009 diff hist −291 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →Miniproject – Computational investigation of bonding in Metal-butadiene complexes
19:0219:02, 8 December 2009 diff hist +24 N File:A. Rh(C4H6)2Cl table.JPG A._Rh(C4H6)2Cl_table.JPG current
19:0119:01, 8 December 2009 diff hist +17 N File:A Rh(C4H6)2Cl.mol A_Rh(C4H6)2Cl.mol current
18:5918:59, 8 December 2009 diff hist +52 N File:Optimised Butadiene and Optimised Cyclobutadiene.JPG Optimised_Butadiene_and_Optimised_Cyclobutadiene.JPG current
18:5518:55, 8 December 2009 diff hist +14 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →Mo(CO)4(PCl3)2
18:5218:52, 8 December 2009 diff hist −1 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →Frequency analyses of the optimised structures of the two conformers of Mo(CO)4(PCl3)2
18:5118:51, 8 December 2009 diff hist −858 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment No edit summary
18:4718:47, 8 December 2009 diff hist +28 N File:Optimazation plot of BH3.jpg Optimazation_plot_of_BH3.jpg current
18:4418:44, 8 December 2009 diff hist −528 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →Frequency analyses of the optimised structures of the two conformers of Mo(CO)4(PCl3)2
18:4418:44, 8 December 2009 diff hist +72 N File:Analysis of the low frequency vibtations of the cis and trans isomer.jpg Analysis_of_the_low_frequency_vibtations_of_the_cis_and_trans_isomer.jpg current
18:4018:40, 8 December 2009 diff hist +39 N File:IR spectrum of trans-Mo(CO)4(PCl3)2.jpg IR_spectrum_of_trans-Mo(CO)4(PCl3)2.jpg current
18:4018:40, 8 December 2009 diff hist +37 N File:IR spectrum of cis-Mo(CO)4(PCl3)2.jpg IR_spectrum_of_cis-Mo(CO)4(PCl3)2.jpg current
18:3918:39, 8 December 2009 diff hist +41 N File:CO vibrations of trans Mo(CO)4(PCl3)2.jpg CO_vibrations_of_trans_Mo(CO)4(PCl3)2.jpg current
18:3918:39, 8 December 2009 diff hist +39 N File:CO vibrations of cis-Mo(CO)4(PCl3)2.jpg CO_vibrations_of_cis-Mo(CO)4(PCl3)2.jpg current
18:3618:36, 8 December 2009 diff hist −1,872 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →'''Optimisations of the structures of the two conformers of Mo(CO)4(PCl3)2'''
18:3518:35, 8 December 2009 diff hist +637 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →Frequency analyses of the optimised structures of the two conformers of Mo(CO)4(PCl3)2
18:3018:30, 8 December 2009 diff hist +1,140 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment No edit summary
18:2818:28, 8 December 2009 diff hist +94 N File:Summary of the optimisations and the frequency analysis performed for trans-Mo(CO)4(PCl3)2.jpg Summary_of_the_optimisations_and_the_frequency_analysis_performed_for_trans-Mo(CO)4(PCl3)2.jpg current
18:2718:27, 8 December 2009 diff hist +88 N File:Summary of the optimisations and frequency analyses performed for cis-Mo(CO)4(PCl3)2.jpg Summary_of_the_optimisations_and_frequency_analyses_performed_for_cis-Mo(CO)4(PCl3)2.jpg current
18:1918:19, 8 December 2009 diff hist −40 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →Day 2
18:1818:18, 8 December 2009 diff hist −49 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment No edit summary
18:1518:15, 8 December 2009 diff hist −1,882 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment →'''Optimisations of the structures of the two conformers of Mo(CO)4(PCl3)2'''
18:1118:11, 8 December 2009 diff hist +53 Rep:Mod2DanielPohoryles:InorganicCompChemExperiment No edit summary

16 December 2009

8 December 2009