Parent Directory | | |
1_download_anconnect.png | 2020-05-28 03:50 | 853k |
1_start_anyconnect.png | 2021-09-07 20:00 | 205k |
1_start_anyconnect2.png | 2021-09-07 20:04 | 145k |
2_empty_anyconnect.png | 2020-05-28 03:41 | 126k |
3_start_app.png | 2021-09-07 20:12 | 60k |
4_anyconnect_searching.png | 2021-09-07 20:15 | 123k |
5_sign_in_connection.png | 2021-09-07 20:18 | 247k |
631gdp_keywords_setup.jpg | 2014-11-13 14:53 | 81k |
6_accept_responsibility.png | 2021-09-07 20:18 | 280k |
acet_MO_1.png | 2024-04-09 20:52 | 266k |
al2cl6_structures.jpg | 2010-10-16 16:09 | 37k |
Alcl6_structures.cdx | 2010-10-16 16:08 | 9k |
aromatic_1.gif | 2012-09-11 09:26 | 5k |
aromatic_2.gif | 2012-09-11 09:33 | 2k |
aromatic_3.gif | 2012-10-16 16:04 | 2k |
bcl3_symmetry_window.jpg | 2008-12-09 21:20 | 40k |
benzne_borazine_example.png | 2018-05-03 06:04 | 107k |
bh2bh2_2016-17_exam_answers.png | 2018-05-01 16:51 | 252k |
bh3_mos.jpg | 2008-09-05 11:59 | 74k |
bh3_mos_1.jpg | 2009-09-10 07:31 | 73k |
bh3_mos_checkpoint.jpg | 2008-09-05 12:05 | 66k |
bluefox12_nh3_vibration_table.png | 2020-07-08 04:57 | 108k |
car_basis_functions.jpg | 2008-09-03 12:18 | 93k |
carbonyl_extra_input.png | 2019-04-19 12:09 | 67k |
charge.png | 2021-08-03 04:48 | 96k |
combining_AOs.gif | 2013-11-08 18:07 | 9k |
deposit.jpg | 2009-01-09 11:25 | 53k |
diatomic_PES_1.jpg | 2007-11-15 17:33 | 60k |
diatomic_PES_2.jpg | 2007-11-15 17:33 | 50k |
diatomic_PES_3.jpg | 2007-11-15 17:33 | 50k |
diatomic_PES_4.jpg | 2007-11-15 17:33 | 42k |
diatomic_PES_5.jpg | 2007-11-15 17:33 | 50k |
diff_functional_grps.jpg | 2007-05-23 09:45 | 56k |
equation_1.jpg | 2011-01-23 14:57 | 33k |
example_cations_and_anions.png | 2012-09-28 18:08 | 42k |
extra_header_info.jpg | 2014-05-02 17:48 | 58k |
extra_header_info_corrected.jpg | 2014-04-30 07:16 | 57k |
gaussview_start.jpg | 2011-01-23 09:52 | 32k |
gv_6321gdp_setup.jpg | 2012-11-09 07:52 | 71k |
gv_add_pop_pc.png | 2016-02-10 14:22 | 76k |
gv_bcl3_molecule.jpg | 2008-09-03 13:01 | 63k |
gv_better_basis.jpg | 2012-08-27 16:10 | 55k |
gv_bh3_molecule.jpg | 2007-11-14 08:32 | 34k |
gv_bond_length.jpg | 2007-11-16 15:50 | 70k |
gv_calculate.jpg | 2007-11-14 08:39 | 60k |
gv_calculation_setup.jpg | 2010-10-16 14:40 | 52k |
gv_choose_method.jpg | 2011-01-23 10:42 | 44k |
gv_choose_optimisation.jpg | 2011-01-23 10:06 | 37k |
gv_choose_title.jpg | 2011-01-23 10:21 | 40k |
gv_cl_atom_seclection.jpg | 2008-09-03 12:57 | 82k |
gv_complete_job.jpg | 2007-11-15 17:33 | 37k |
gv_control_pallette.jpg | 2007-11-16 15:22 | 44k |
gv_controls_1.jpg | 2007-11-14 08:27 | 47k |
gv_controls_question_mark.jpg | 2013-11-06 09:45 | 27k |
gv_controls_structure.jpg | 2013-11-06 09:54 | 27k |
gv_controls_window.jpg | 2013-11-06 09:41 | 33k |
gv_create_ex3.jpg | 2010-10-16 13:39 | 52k |
gv_create_mol.jpg | 2008-09-03 09:00 | 55k |
gv_density_and_esp_cubes.jpg | 2011-01-23 17:05 | 82k |
gv_finished_calc.jpg | 2010-10-06 08:18 | 42k |
gv_forming_TlBr3.jpg | 2010-10-16 14:17 | 93k |
gv_frag_library.jpg | 2012-09-11 07:27 | 37k |
gv_fragments.jpg | 2007-11-16 15:22 | 44k |
gv_freq.jpg | 2007-11-14 11:59 | 84k |
gv_freq_2.jpg | 2014-10-06 18:34 | 263k |
gv_Ga_atom.jpg | 2013-10-04 10:52 | 81k |
gv_job_finished.jpg | 2011-01-23 11:53 | 36k |
gv_job_type_pc.png | 2016-02-10 14:05 | 102k |
gv_label_atoms.jpg | 2013-11-06 10:12 | 48k |
gv_labels.jpg | 2008-09-03 10:13 | 71k |
gv_lanl2mb.jpg | 2008-09-03 14:26 | 67k |
gv_log_file.jpg | 2008-09-03 14:48 | 122k |
gv_many_waters.jpg | 2011-01-23 09:57 | 28k |
gv_measure.jpg | 2007-11-16 15:22 | 44k |
gv_method_setup.jpg | 2014-09-06 07:26 | 45k |
gv_mixed_basis_and_pp.jpg | 2014-09-07 11:05 | 65k |
gv_MOs_window.jpg | 2007-11-15 17:33 | 83k |
gv_mouse_instructions.jpg | 2008-09-03 10:22 | 55k |
gv_n2_2pp_mos.jpg | 2013-11-06 19:24 | 38k |
gv_n2_2ppp_mos.jpg | 2013-11-06 19:26 | 42k |
gv_n2_2s_mos.jpg | 2013-11-06 19:08 | 41k |
gv_n2_calc_mos.jpg | 2013-11-06 18:52 | 39k |
gv_n2_lowest_mos.jpg | 2013-11-06 19:02 | 48k |
gv_n2_open_mos.jpg | 2016-02-10 14:16 | 45k |
gv_new_molecule.jpg | 2011-01-23 10:38 | 29k |
gv_nh3_calculation_start.jpg | 2013-11-06 12:01 | 39k |
gv_nh3_charges.jpg | 2013-11-06 17:36 | 51k |
gv_nh3_dipole_error.jpg | 2013-11-06 18:21 | 20k |
gv_nh3_method.jpg | 2013-11-06 12:16 | 54k |
gv_nh3_molecule_window.jpg | 2013-11-06 09:33 | 18k |
gv_nh3_open_file.jpg | 2013-11-06 13:32 | 34k |
gv_nh3_open_logfile.jpg | 2013-11-06 15:10 | 40k |
gv_nh3_open_output_file.jpg | 2013-11-06 16:08 | 49k |
gv_nh3_open_vibrations.jpg | 2013-11-06 17:08 | 43k |
gv_nh3_optf.jpg | 2013-11-06 12:04 | 41k |
gv_nh3_optimisation_process.jpg | 2013-11-06 16:46 | 49k |
gv_nh3_output_file.jpg | 2013-11-06 15:40 | 63k |
gv_nh3_point_group.jpg | 2013-11-06 10:13 | 49k |
gv_nh3_point_group1.png | 2021-07-10 21:00 | 679k |
gv_nh3_pt.jpg | 2013-11-06 09:42 | 40k |
gv_nh3_save.jpg | 2013-11-06 12:06 | 43k |
gv_nh3_set_bond_distance.jpg | 2013-11-06 10:15 | 44k |
gv_nh3_summary.jpg | 2014-09-06 09:30 | 50k |
gv_nh3_summary_data.jpg | 2014-09-06 09:15 | 90k |
gv_nh3_summary_table.jpg | 2013-11-06 15:16 | 45k |
gv_nh3_symmetrize.jpg | 2013-11-06 10:21 | 40k |
gv_nh3_vibrations.jpg | 2013-11-06 17:09 | 41k |
gv_nh3_view_optimisation.jpg | 2013-11-06 16:22 | 44k |
gv_nh3_view_steps.jpg | 2013-11-06 16:44 | 43k |
gv_open_file.jpg | 2011-01-23 15:35 | 36k |
gv_open_freq.jpg | 2007-11-14 11:56 | 83k |
gv_open_log.jpg | 2007-11-14 10:39 | 72k |
gv_open_logfile.jpg | 2007-11-15 17:33 | 66k |
gv_open_MOs.jpg | 2007-11-15 17:33 | 78k |
gv_opt.jpg | 2010-10-16 14:41 | 39k |
gv_opt_b.jpg | 2007-11-14 08:54 | 56k |
gv_opt_details.jpg | 2007-11-14 10:58 | 69k |
gv_opt_movie.jpg | 2007-11-14 10:54 | 91k |
gv_optimisation.jpg | 2007-11-16 15:50 | 91k |
gv_optimisation_1.jpg | 2007-11-15 17:33 | 91k |
gv_periodic_table_2.jpg | 2007-11-14 08:30 | 54k |
gv_pp_calc_setup.jpg | 2010-10-16 14:30 | 46k |
gv_results.jpg | 2008-09-03 14:49 | 69k |
gv_run_gaussian.jpg | 2011-01-23 10:55 | 27k |
gv_save.jpg | 2007-11-14 09:01 | 60k |
gv_save_b.jpg | 2007-11-14 09:02 | 72k |
gv_select_charges.jpg | 2009-09-10 15:15 | 57k |
gv_select_element.jpg | 2010-10-16 13:46 | 81k |
gv_setting_up_calc.jpg | 2008-09-03 11:07 | 77k |
gv_setup_calc_gauss.jpg | 2010-10-06 07:54 | 63k |
gv_setup_on_pc.png | 2016-02-10 14:05 | 82k |
gv_show_charges.jpg | 2009-09-10 15:21 | 65k |
gv_submit.jpg | 2007-11-14 09:01 | 56k |
gv_submit_a.jpg | 2007-11-14 09:05 | 55k |
gv_submit_liquids.jpg | 2011-01-23 10:26 | 33k |
gv_tl_atom.jpg | 2010-10-16 14:12 | 27k |
gv_TlBr3.jpg | 2010-10-16 14:21 | 28k |
gv_vibrations_h20.jpg | 2011-01-23 15:42 | 43k |
gv_water_log_file.jpg | 2011-01-23 11:56 | 35k |
gv_water_molecule.jpg | 2011-01-23 09:55 | 26k |
gview_icon.png | 2022-12-02 04:04 | 18k |
gview_make_animated_gif.png | 2022-05-06 04:39 | 697k |
hessian.jpg | 2011-01-23 15:09 | 26k |
IL_MOs_example.png | 2018-05-02 11:45 | 265k |
inversion.jpg | 2006-03-17 12:34 | 30k |
lab_D_drive1.png | 2024-04-27 09:07 | 43k |
lab_D_drive2.png | 2024-04-27 09:11 | 39k |
menhcl_321g_num.png | 2024-04-23 02:56 | 141k |
menhcl_321g_opt.png | 2024-04-23 02:50 | 122k |
menhcl_321g_scan_finish1.png | 2024-04-27 20:42 | 352k |
menhcl_321g_scan_graph3.png | 2024-04-27 20:54 | 99k |
menhcl_321g_scan_start.png | 2024-04-23 03:03 | 759k |
menhcl_321g_zmatrix1a.png | 2024-04-27 08:40 | 744k |
menhcl_321g_zmatrix2b.png | 2024-04-27 08:53 | 624k |
menhcl_proton_transfer.png | 2024-04-26 01:13 | 168k |
mhimcl_structures.png | 2024-04-23 04:16 | 408k |
mhimcl_structures1.png | 2024-04-23 04:17 | 320k |
MoCO4L2_both_orient.jpg | 2009-08-01 22:07 | 45k |
NH3_1090.png | 2019-02-21 07:00 | 33k |
NH3_1694_1.png | 2019-02-21 07:00 | 33k |
NH3_1694_2.png | 2019-02-21 07:00 | 35k |
NH3_3461.png | 2019-02-21 07:00 | 33k |
NH3_3589_1.png | 2019-02-21 07:00 | 27k |
NH3_3589_2.png | 2019-02-21 07:00 | 29k |
nh3_gv_vibrations.png | 2022-07-14 01:05 | 495k |
nh3_mp2_basis_set.jpg | 2008-09-05 08:47 | 75k |
nh3_NBO_charges.jpg | 2012-09-11 07:09 | 55k |
NiCl2dppe_making1.gif | 2016-04-30 06:44 | 147k |
NiCl2dppe_sample.gif | 2016-04-30 06:44 | 124k |
nicl2pph32_PH3_eclipsed.jpg | 2014-04-30 08:24 | 32k |
nicl2pph32_PH3_staggered.jpg | 2014-04-30 08:24 | 33k |
Nicl4_321G_setup.jpg | 2014-04-12 12:16 | 45k |
nicl4_6311gdp_MO41alpha.jpg | 2014-04-26 14:48 | 68k |
nicl4_6311gdp_MO43alpha.jpg | 2014-04-26 14:48 | 71k |
nicl4_6311gdp_ro_MO35.jpg | 2014-04-26 15:16 | 64k |
nicl4_6311gdp_ro_MO49.jpg | 2014-04-26 15:17 | 59k |
nicl4_6311gdp_ro_MO50.jpg | 2014-04-26 15:16 | 59k |
nicl4_6311gdp_sp_MO43.jpg | 2014-05-02 16:03 | 60k |
nicl4_6311gdp_umo_34b.jpg | 2014-04-25 14:32 | 67k |
nicl4_6311gdp_umo_36a.jpg | 2014-04-25 14:31 | 66k |
nicl4_631Gd_umo_34b.jpg | 2014-04-06 13:28 | 120k |
nicl4_631Gd_umo_36a.jpg | 2014-04-06 13:28 | 115k |
nicl4_build.jpg | 2014-04-05 20:05 | 46k |
nicl4_build2.jpg | 2014-04-05 20:15 | 13k |
nicl4_build3.jpg | 2014-04-05 20:13 | 49k |
nicl4_constrain_symmetry.jpg | 2014-04-12 12:19 | 83k |
nicl4_dipole_error.jpg | 2014-04-06 09:18 | 21k |
nicl4_energy_barriers.jpg | 2014-04-26 10:51 | 50k |
NiCl4_freq_pop.jpg | 2014-04-06 09:06 | 70k |
nicl4_method.jpg | 2014-04-05 22:11 | 55k |
NiCl4_sp_to_tet_vibration.gif | 2014-04-26 15:57 | 678k |
nicl4_symmetrise.jpg | 2014-04-05 20:20 | 51k |
nicl4_Td.jpg | 2014-04-05 20:23 | 49k |
Nicl4_tet_6311Gdp_bond_stretch.jpg | 2014-04-25 13:58 | 51k |
Nicl4_tet_6311Gdp_freq.jpg | 2014-04-25 13:52 | 51k |
Nicl4_tet_6311Gdp_setup.jpg | 2014-04-25 13:41 | 50k |
Nicl4_tet_631Gd_freq.jpg | 2014-04-12 12:58 | 94k |
nicl4_tet_631gd_freq_setup.jpg | 2014-04-28 17:35 | 42k |
Nicl4_tet_631Gd_setup.jpg | 2014-04-12 12:40 | 94k |
nicl4_tet_631gd_totallysym_vib.jpg | 2016-04-20 11:38 | 94k |
nicl4_totallysym_vib.jpg | 2014-04-06 09:27 | 94k |
nicl4_UMOs_visualise.jpg | 2014-04-06 11:55 | 145k |
nicl4_wrong_vibrations_631gd.jpg | 2016-04-20 09:06 | 46k |
nitroanniline_and_anion.jpg | 2013-11-18 10:52 | 30k |
NR4_charge_example.png | 2012-09-28 17:07 | 4k |
pf4_HOMO_MO41.png | 2021-07-11 08:29 | 130k |
pf4_MO31.png | 2021-07-11 08:18 | 119k |
pf4_MO31_cdmxl.png | 2021-07-11 08:20 | 17k |
pf4_MO41_cdmxl.png | 2021-07-11 08:32 | 18k |
phunt_nh3_summary.png | 2018-05-03 06:04 | 43k |
publish_problems.jpg | 2016-04-20 09:05 | 54k |
raapoi_gaussview_startup.png | 2020-06-25 23:06 | 211k |
raapoi_login.png | 2020-06-25 22:46 | 71k |
read_int_geoms.jpg | 2008-09-05 09:41 | 66k |
right_click_save.png | 2022-05-13 04:37 | 1825k |
scan_doi.jpg | 2014-04-12 08:24 | 153k |
scan_portal.jpg | 2014-04-12 08:17 | 81k |
scan_portal_choose_server.jpg | 2014-09-07 09:12 | 50k |
scan_portal_dspace.jpg | 2014-09-07 10:41 | 139k |
scan_portal_finished_job.jpg | 2014-09-07 09:38 | 69k |
scan_portal_input_file.jpg | 2014-09-07 09:22 | 61k |
scan_portal_newjob.jpg | 2014-09-07 09:07 | 40k |
scan_portal_project_creation.jpg | 2014-09-07 08:47 | 45k |
scan_portal_running_job.jpg | 2014-09-07 09:26 | 65k |
scan_portal_start.jpg | 2014-09-07 08:44 | 44k |
scan_published.jpg | 2014-04-12 08:19 | 82k |
summary_data.png | 2022-07-14 20:30 | 274k |
tet_square_planar_dAOs.gif | 2014-04-25 10:07 | 5k |
tet_square_planar_spin.gif | 2014-04-05 21:57 | 6k |
torsional_minima.jpg | 2009-08-01 21:48 | 39k |
vib_table.jpg | 2008-09-03 16:46 | 44k |
vlab_c3v_character_table.png | 2020-07-08 19:45 | 63k |
vlab_finished_job.png | 2020-07-16 01:05 | 45k |
vlab_finished_jobs.png | 2020-07-16 00:54 | 132k |
vlab_mo_diagram_nh3.png | 2020-07-08 20:15 | 574k |
vlab_move_file_1.png | 2020-07-21 05:34 | 15k |
vlab_move_file_3.png | 2020-07-21 05:35 | 69k |
vlab_move_file_4.png | 2020-07-21 05:36 | 52k |
vlab_move_file_5.png | 2020-07-21 05:36 | 69k |
vlab_nh3_method.png | 2020-07-16 05:47 | 159k |
vlab_running_jobs.png | 2020-07-16 01:13 | 232k |
vlab_set_memory.png | 2020-07-16 00:43 | 170k |
vlab_wiki_add_image.png | 2020-07-07 20:24 | 315k |
vlab_wiki_bad_title.png | 2020-07-02 20:32 | 207k |
vlab_wiki_create_page.png | 2020-07-27 05:21 | 328k |
vlab_wiki_create_page_2.png | 2020-07-02 20:26 | 216k |
vlab_wiki_created_page.png | 2020-07-05 20:24 | 428k |
vlab_wiki_display_format.png | 2020-07-08 06:15 | 79k |
vlab_wiki_embed_image.png | 2020-07-07 20:49 | 573k |
vlab_wiki_embed_image_source.png | 2020-07-07 20:52 | 324k |
vlab_wiki_enter_data_source.png | 2020-07-07 07:29 | 342k |
vlab_wiki_enter_data_wiki.png | 2020-07-07 07:19 | 476k |
vlab_wiki_file_list.png | 2020-07-07 21:43 | 465k |
vlab_wiki_first_title_saved.png | 2020-07-05 21:22 | 302k |
vlab_wiki_first_titles.png | 2020-07-05 21:18 | 293k |
vlab_wiki_load_image_file.png | 2020-07-07 20:36 | 416k |
vlab_wiki_load_logfile.png | 2020-07-07 21:01 | 437k |
vlab_wiki_login.png | 2020-07-02 19:38 | 204k |
vlab_wiki_main_page.png | 2020-07-02 20:36 | 238k |
vlab_wiki_mos.png | 2020-07-08 06:17 | 162k |
vlab_wiki_nh3_compute_mos.png | 2020-07-08 06:10 | 71k |
vlab_wiki_nh3_geom.png | 2020-07-07 22:05 | 39k |
vlab_wiki_nh3_geom_source.png | 2020-07-07 22:04 | 268k |
vlab_wiki_nh3_jmol_3d.png | 2020-07-07 23:09 | 165k |
vlab_wiki_nh3_jmol_3d_source.png | 2020-07-07 23:08 | 379k |
vlab_wiki_nh3_select_mos.png | 2020-07-08 06:01 | 1569k |
vlab_wiki_nh3_select_mos1.png | 2021-07-10 21:29 | 725k |
vlab_wiki_nh3_show_charges.png | 2020-07-08 05:43 | 667k |
vlab_wiki_save_mol_image.png | 2020-07-07 20:14 | 2583k |
vlab_wiki_start.png | 2020-07-02 19:58 | 275k |
vlab_wiki_uploaded_file.png | 2020-07-07 20:38 | 594k |
vlab_wiki_uploaded_logfile.png | 2020-07-07 21:06 | 414k |
vlab_wiki_user_start.png | 2024-04-09 05:54 | 334k |
vlab_wiki_username.png | 2020-07-02 19:43 | 318k |
vlan_move_file_2.png | 2020-07-21 05:35 | 40k |
vlb_wiki_nh3_nbo_mos.png | 2020-07-08 05:36 | 71k |
wiki_first_page.jpg | 2014-09-06 07:59 | 64k |
wiki_logfiles.jpg | 2009-01-09 11:09 | 29k |
wiki_logged_in.png | 2025-03-31 04:15 | 282k |
wiki_logging_in.png | 2025-03-31 04:15 | 300k |
wiki_login_new.png | 2025-03-31 04:15 | 518k |
wiki_login_prelogin.png | 2025-03-31 04:15 | 256k |
wiki_test_page_2.jpg | 2014-09-06 08:04 | 110k |
Yr1testPg_edit.jpg | 2016-02-02 18:40 | 98k |
Yr1testPg_first.jpg | 2016-02-02 18:40 | 89k |
Yr1testPg_NH3info.jpg | 2016-02-02 18:40 | 186k |