Main public logs

Combined display of all available logs of ChemWiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 21:03, 16 December 2009 Dap207 talk contribs uploaded File:Reaction path.gif (Reaction_path.gif)
• 14:49, 16 December 2009 Dap207 talk contribs uploaded File:HOMOs of the exo and endo transiton structures.jpg (HOMOs_of_the_exo_and_endo_transiton_structures.jpg)
• 14:48, 16 December 2009 Dap207 talk contribs uploaded File:Obtained information on the exo and endo transition structures of the reaction of Cyclohexa-1,3-diene with maleic anhydride.jpg (Obtained_information_on_the_exo_and_endo_transition_structures_of_the_reaction_of_Cyclohexa-1,3-diene_with_maleic_anhydride.jpg)
• 14:48, 16 December 2009 Dap207 talk contribs uploaded File:Summary of the energy variation in the Diels-Alder Reaction.jpg (Summary_of_the_energy_variation_in_the_Diels-Alder_Reaction.jpg)
• 14:47, 16 December 2009 Dap207 talk contribs uploaded File:Energy variation in the Diels-Alder Reaction (Energy vs. Intrinsic Reaction Coordinate).jpg (Energy_variation_in_the_Diels-Alder_Reaction_(Energy_vs._Intrinsic_Reaction_Coordinate).jpg)
• 14:46, 16 December 2009 Dap207 talk contribs uploaded File:Optimised cis-butadiene molecule and its Frontier molecular orbitals .jpg (Optimised_TRANSITION STATE_and_its_Frontier_molecular_orbitals_.jpg)
• 14:45, 16 December 2009 Dap207 talk contribs uploaded File:Lowest positive frequency corresponding to an asymmetric motion of the ethylene fragment.jpg (Lowest_positive_frequency_corresponding_to_an_asymmetric_motion_of_the_ethylene_fragment.jpg)
• 14:45, 16 December 2009 Dap207 talk contribs uploaded File:Imaginary frequency was obtained at 956 cm-1 corresponding to the rapprochement of ethylene from the top to the cis-butadiene.jpg (Imaginary_frequency_was_obtained_at_956_cm-1_corresponding_to_the_rapprochement_of_ethylene_from_the_top_to_the_cis-butadiene.jpg)
• 14:44, 16 December 2009 Dap207 talk contribs uploaded File:Optimised Transition Structure using the force constant matrix method.jpg (Optimised_Transition_Structure_using_the_force_constant_matrix_method_diels Alder)
• 14:42, 16 December 2009 Dap207 talk contribs uploaded File:Optimised ethylene molecule and its Frontier molecular orbitals.jpg (Optimised_ethylene_molecule_and_its_Frontier_molecular_orbitals.jpg)
• 14:42, 16 December 2009 Dap207 talk contribs uploaded File:Optimised cis-butadiene molecule and its Frontier molecular orbitals.jpg (Optimised_cis-butadiene_molecule_and_its_Frontier_molecular_orbitals.jpg)
• 14:41, 16 December 2009 Dap207 talk contribs uploaded File:Summary of activation energies (in kcal mol) .jpg (Summary_of_activation_energies_(in_kcal_mol)_.jpg)
• 14:41, 16 December 2009 Dap207 talk contribs uploaded File:Summary of energies (in hartree).jpg (Summary_of_energies_(in_hartree).jpg)
• 14:39, 16 December 2009 Dap207 talk contribs uploaded File:Obtained gauche 2 conformer from the IRC calculation of the chair transition state.jpg (Obtained_gauche_2_conformer_from_the_IRC_calculation_of_the_chair_transition_state.jpg)
• 14:38, 16 December 2009 Dap207 talk contribs uploaded File:Imaginary frequency corresponding to Cope rearrangement in the boat transition state structure.jpg (Imaginary_frequency_corresponding_to_Cope_rearrangement_in_the_boat_transition_state_structure.jpg)
• 14:38, 16 December 2009 Dap207 talk contribs uploaded File:Boat Transition Structure obtained from the QST2 calculation.jpg (Boat_Transition_Structure_obtained_from_the_QST2_calculation.jpg)
• 14:37, 16 December 2009 Dap207 talk contribs uploaded File:Updated structures of reactant and product for the QST2 calculation.jpg (Updated_structures_of_reactant_and_product_for_the_QST2_calculation.jpg)
• 14:37, 16 December 2009 Dap207 talk contribs uploaded File:Structures of reactant and product for the QST2 calculation that failed.jpg (Structures_of_reactant_and_product_for_the_QST2_calculation_that_failed)
• 14:36, 16 December 2009 Dap207 talk contribs uploaded File:Comparison of the two different methods used for the optimisation of the chair transition structures.jpg (Comparison__of_the_two_different_methods_used_for_the_optimisation_of_the_chair_transition_structures.jpg)
• 14:35, 16 December 2009 Dap207 talk contribs uploaded File:Comparison between the chair transition states obtained from the two different methods used.jpg (Comparison_between_the_chair_transition_states_obtained_from_the_two_different_methods_used.jpg)
• 14:34, 16 December 2009 Dap207 talk contribs uploaded File:Transition structures obtained from theory.jpg (Transition_structures_obtained_from_theory.jpg)
• 14:32, 16 December 2009 Dap207 talk contribs uploaded File:Optimised Transition State geometry obtained from the first step of frozen coordinate method TS CHAIR OPT 2frozencoordinate.jpg (Optimised_Transition_State_geometry_obtained_from_the_first_step_of_frozen_coordinate_method_TS_CHAIR_OPT_2frozencoordinate.jpg)
• 14:31, 16 December 2009 Dap207 talk contribs uploaded 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)
• 14:31, 16 December 2009 Dap207 talk contribs uploaded 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)
• 14:29, 16 December 2009 Dap207 talk contribs uploaded File:Guess for the chairtransition structure (ts chair guess).jpg (Guess_for_the_chairtransition_structure_(ts_chair_guess).jpg)
• 14:29, 16 December 2009 Dap207 talk contribs uploaded File:Allyl fragment CH2CHCH2 (TRANSITIONSTATE ALLYL FRAGMENT).jpg (Allyl_fragment_CH2CHCH2_(TRANSITIONSTATE_ALLYL_FRAGMENT).jpg)
• 14:28, 16 December 2009 Dap207 talk contribs uploaded File:Different energy data obtained from the output .jpg (Table summarising the Different_energy_data_obtained_from_the_output)
• 14:27, 16 December 2009 Dap207 talk contribs uploaded File:IR spectrum of react anti2.jpg (IR_spectrum_of_react_anti2)
• 14:26, 16 December 2009 Dap207 talk contribs uploaded File:React anti2 B3LYP 6-31G.jpg (Table for react_anti2 using the B3LYP/6-31G level of theory)
• 14:25, 16 December 2009 Dap207 talk contribs uploaded File:React anti2.jpg (Table for react_anti2)
• 14:24, 16 December 2009 Dap207 talk contribs uploaded File:React gauche4.jpg (Table for react_gauche4)
• 14:24, 16 December 2009 Dap207 talk contribs uploaded File:React anti.jpg (Table for react_anti)
• 19:15, 8 December 2009 Dap207 talk contribs uploaded 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)
• 19:14, 8 December 2009 Dap207 talk contribs uploaded 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)
• 19:14, 8 December 2009 Dap207 talk contribs uploaded File:Frontier MO diagram of (C4H4)Fe(CO)3.JPG (Frontier_MO_diagram_of_(C4H4)Fe(CO)3.JPG)
• 19:13, 8 December 2009 Dap207 talk contribs uploaded File:D. (C4H4)Fe(CO)3 table.JPG (D._(C4H4)Fe(CO)3_table.JPG)
• 19:13, 8 December 2009 Dap207 talk contribs uploaded File:D Fe(CO)3(C4H4).mol (D_Fe(CO)3(C4H4).mol)
• 19:11, 8 December 2009 Dap207 talk contribs uploaded File:Frontier Molecular orbitals of free cyclobutadiene.JPG (Frontier_Molecular_orbitals_of_free_cyclobutadiene.JPG)
• 19:10, 8 December 2009 Dap207 talk contribs uploaded File:Summary of the first part of the Mini Project.JPG (Summary_of_the_first_part_of_the_Mini_Project.JPG)
• 19:10, 8 December 2009 Dap207 talk contribs uploaded 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)
• 19:09, 8 December 2009 Dap207 talk contribs uploaded File:C. (C5H5)Ta(C4H6)Cl2 table.JPG (C._(C5H5)Ta(C4H6)Cl2_table.JPG)
• 19:08, 8 December 2009 Dap207 talk contribs uploaded File:C (C5H5)Ta(C4H6)Cl2.mol (C_(C5H5)Ta(C4H6)Cl2.mol)
• 19:06, 8 December 2009 Dap207 talk contribs uploaded File:B. Fe(CO)3(C4H6) table.JPG (B._Fe(CO)3(C4H6)_table.JPG)
• 19:06, 8 December 2009 Dap207 talk contribs uploaded File:B Fe(CO)3(C4H6).mol (B_Fe(CO)3(C4H6).mol)
• 19:02, 8 December 2009 Dap207 talk contribs uploaded File:A. Rh(C4H6)2Cl table.JPG (A._Rh(C4H6)2Cl_table.JPG)
• 19:01, 8 December 2009 Dap207 talk contribs uploaded File:A Rh(C4H6)2Cl.mol (A_Rh(C4H6)2Cl.mol)
• 18:59, 8 December 2009 Dap207 talk contribs uploaded File:Optimised Butadiene and Optimised Cyclobutadiene.JPG (Optimised_Butadiene_and_Optimised_Cyclobutadiene.JPG)
• 18:47, 8 December 2009 Dap207 talk contribs uploaded File:Optimazation plot of BH3.jpg (Optimazation_plot_of_BH3.jpg)
• 18:44, 8 December 2009 Dap207 talk contribs uploaded 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)
• 18:40, 8 December 2009 Dap207 talk contribs uploaded File:IR spectrum of trans-Mo(CO)4(PCl3)2.jpg (IR_spectrum_of_trans-Mo(CO)4(PCl3)2.jpg)