Index of

Last updated : Thu Apr 20 01:52:35 JST 2017
Total : 31 (22) in this page
045175669.b3lyp_6-31g(d).inp

045175669.b3lyp_6-31g(d).qchem.inp (generated)

045175669.b3lyp_6-31g(d).gjf (generated)

045175669.b3lyp_6-31g(d).firefly.inp (generated)

045175669.b3lyp_6-31g(d).smash.inp (generated)

045175669.b3lyp_6-31g(d).nwchem.inp (generated) 045175669.b3lyp_6-31g(d).log.xz 045175669.td-b3lyp_6-31g+(d).inp 045175669.td-b3lyp_6-31g+(d).log.xz

045175669.td-b3lyp_6-31+g(d).qchem.inp (generated)

045175669.td-b3lyp_6-31+g(d).gjf (generated)

045175669.td-b3lyp_6-31+g(d).firefly.inp (generated)

045175669.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045175669.mol 045175669.PUBCHEM 045175669.mol (via Jmol)
045176206.b3lyp_6-31g(d).inp

045176206.b3lyp_6-31g(d).qchem.inp (generated)

045176206.b3lyp_6-31g(d).gjf (generated)

045176206.b3lyp_6-31g(d).firefly.inp (generated)

045176206.b3lyp_6-31g(d).smash.inp (generated)

045176206.b3lyp_6-31g(d).nwchem.inp (generated) 045176206.b3lyp_6-31g(d).log.xz 045176206.td-b3lyp_6-31g+(d).inp 045176206.td-b3lyp_6-31g+(d).log.xz

045176206.td-b3lyp_6-31+g(d).qchem.inp (generated)

045176206.td-b3lyp_6-31+g(d).gjf (generated)

045176206.td-b3lyp_6-31+g(d).firefly.inp (generated)

045176206.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045176206.mol 045176206.PUBCHEM 045176206.mol (via Jmol)
045177922.b3lyp_6-31g(d).inp

045177922.b3lyp_6-31g(d).qchem.inp (generated)

045177922.b3lyp_6-31g(d).gjf (generated)

045177922.b3lyp_6-31g(d).firefly.inp (generated)

045177922.b3lyp_6-31g(d).smash.inp (generated)

045177922.b3lyp_6-31g(d).nwchem.inp (generated) 045177922.b3lyp_6-31g(d).log.xz 045177922.td-b3lyp_6-31g+(d).inp 045177922.td-b3lyp_6-31g+(d).log.xz

045177922.td-b3lyp_6-31+g(d).qchem.inp (generated)

045177922.td-b3lyp_6-31+g(d).gjf (generated)

045177922.td-b3lyp_6-31+g(d).firefly.inp (generated)

045177922.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045177922.mol 045177922.PUBCHEM 045177922.mol (via Jmol)
045178649.b3lyp_6-31g(d).inp

045178649.b3lyp_6-31g(d).qchem.inp (generated)

045178649.b3lyp_6-31g(d).gjf (generated)

045178649.b3lyp_6-31g(d).firefly.inp (generated)

045178649.b3lyp_6-31g(d).smash.inp (generated)

045178649.b3lyp_6-31g(d).nwchem.inp (generated) 045178649.b3lyp_6-31g(d).log.xz 045178649.mol 045178649.PUBCHEM 045178649.mol (via Jmol)
045178711.b3lyp_6-31g(d).inp

045178711.b3lyp_6-31g(d).qchem.inp (generated)

045178711.b3lyp_6-31g(d).gjf (generated)

045178711.b3lyp_6-31g(d).firefly.inp (generated)

045178711.b3lyp_6-31g(d).smash.inp (generated)

045178711.b3lyp_6-31g(d).nwchem.inp (generated) 045178711.b3lyp_6-31g(d).log.xz 045178711.mol 045178711.PUBCHEM 045178711.mol (via Jmol)
045180731.b3lyp_6-31g(d).inp

045180731.b3lyp_6-31g(d).qchem.inp (generated)

045180731.b3lyp_6-31g(d).gjf (generated)

045180731.b3lyp_6-31g(d).firefly.inp (generated)

045180731.b3lyp_6-31g(d).smash.inp (generated)

045180731.b3lyp_6-31g(d).nwchem.inp (generated) 045180731.b3lyp_6-31g(d).log.xz 045180731.mol 045180731.PUBCHEM 045180731.mol (via Jmol)
045180803.b3lyp_6-31g(d).inp

045180803.b3lyp_6-31g(d).qchem.inp (generated)

045180803.b3lyp_6-31g(d).gjf (generated)

045180803.b3lyp_6-31g(d).firefly.inp (generated)

045180803.b3lyp_6-31g(d).smash.inp (generated)

045180803.b3lyp_6-31g(d).nwchem.inp (generated) 045180803.b3lyp_6-31g(d).log.xz 045180803.td-b3lyp_6-31g+(d).inp 045180803.td-b3lyp_6-31g+(d).log.xz

045180803.td-b3lyp_6-31+g(d).qchem.inp (generated)

045180803.td-b3lyp_6-31+g(d).gjf (generated)

045180803.td-b3lyp_6-31+g(d).firefly.inp (generated)

045180803.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045180803.mol 045180803.PUBCHEM 045180803.mol (via Jmol)
045182021.b3lyp_6-31g(d).inp

045182021.b3lyp_6-31g(d).qchem.inp (generated)

045182021.b3lyp_6-31g(d).gjf (generated)

045182021.b3lyp_6-31g(d).firefly.inp (generated)

045182021.b3lyp_6-31g(d).smash.inp (generated)

045182021.b3lyp_6-31g(d).nwchem.inp (generated) 045182021.b3lyp_6-31g(d).log.xz 045182021.mol 045182021.PUBCHEM 045182021.mol (via Jmol)
045182326.b3lyp_6-31g(d).inp

045182326.b3lyp_6-31g(d).qchem.inp (generated)

045182326.b3lyp_6-31g(d).gjf (generated)

045182326.b3lyp_6-31g(d).firefly.inp (generated)

045182326.b3lyp_6-31g(d).smash.inp (generated)

045182326.b3lyp_6-31g(d).nwchem.inp (generated) 045182326.b3lyp_6-31g(d).log.xz 045182326.td-b3lyp_6-31g+(d).inp 045182326.td-b3lyp_6-31g+(d).log.xz

045182326.td-b3lyp_6-31+g(d).qchem.inp (generated)

045182326.td-b3lyp_6-31+g(d).gjf (generated)

045182326.td-b3lyp_6-31+g(d).firefly.inp (generated)

045182326.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045182326.mol 045182326.PUBCHEM 045182326.mol (via Jmol)
045182538.b3lyp_6-31g(d).inp

045182538.b3lyp_6-31g(d).qchem.inp (generated)

045182538.b3lyp_6-31g(d).gjf (generated)

045182538.b3lyp_6-31g(d).firefly.inp (generated)

045182538.b3lyp_6-31g(d).smash.inp (generated)

045182538.b3lyp_6-31g(d).nwchem.inp (generated) 045182538.b3lyp_6-31g(d).log.xz 045182538.td-b3lyp_6-31g+(d).inp 045182538.td-b3lyp_6-31g+(d).log.xz

045182538.td-b3lyp_6-31+g(d).qchem.inp (generated)

045182538.td-b3lyp_6-31+g(d).gjf (generated)

045182538.td-b3lyp_6-31+g(d).firefly.inp (generated)

045182538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045182538.mol 045182538.PUBCHEM 045182538.mol (via Jmol)
045183350.b3lyp_6-31g(d).inp

045183350.b3lyp_6-31g(d).qchem.inp (generated)

045183350.b3lyp_6-31g(d).gjf (generated)

045183350.b3lyp_6-31g(d).firefly.inp (generated)

045183350.b3lyp_6-31g(d).smash.inp (generated)

045183350.b3lyp_6-31g(d).nwchem.inp (generated) 045183350.b3lyp_6-31g(d).log.xz 045183350.td-b3lyp_6-31g+(d).inp 045183350.td-b3lyp_6-31g+(d).log.xz

045183350.td-b3lyp_6-31+g(d).qchem.inp (generated)

045183350.td-b3lyp_6-31+g(d).gjf (generated)

045183350.td-b3lyp_6-31+g(d).firefly.inp (generated)

045183350.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045183350.mol 045183350.PUBCHEM 045183350.mol (via Jmol)
045184480.b3lyp_6-31g(d).inp

045184480.b3lyp_6-31g(d).qchem.inp (generated)

045184480.b3lyp_6-31g(d).gjf (generated)

045184480.b3lyp_6-31g(d).firefly.inp (generated)

045184480.b3lyp_6-31g(d).smash.inp (generated)

045184480.b3lyp_6-31g(d).nwchem.inp (generated) 045184480.b3lyp_6-31g(d).log.xz 045184480.mol 045184480.PUBCHEM 045184480.mol (via Jmol)
045184692.b3lyp_6-31g(d).inp

045184692.b3lyp_6-31g(d).qchem.inp (generated)

045184692.b3lyp_6-31g(d).gjf (generated)

045184692.b3lyp_6-31g(d).firefly.inp (generated)

045184692.b3lyp_6-31g(d).smash.inp (generated)

045184692.b3lyp_6-31g(d).nwchem.inp (generated) 045184692.b3lyp_6-31g(d).log.xz 045184692.td-b3lyp_6-31g+(d).inp 045184692.td-b3lyp_6-31g+(d).log.xz

045184692.td-b3lyp_6-31+g(d).qchem.inp (generated)

045184692.td-b3lyp_6-31+g(d).gjf (generated)

045184692.td-b3lyp_6-31+g(d).firefly.inp (generated)

045184692.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045184692.mol 045184692.PUBCHEM 045184692.mol (via Jmol)
045184728.b3lyp_6-31g(d).inp

045184728.b3lyp_6-31g(d).qchem.inp (generated)

045184728.b3lyp_6-31g(d).gjf (generated)

045184728.b3lyp_6-31g(d).firefly.inp (generated)

045184728.b3lyp_6-31g(d).smash.inp (generated)

045184728.b3lyp_6-31g(d).nwchem.inp (generated) 045184728.b3lyp_6-31g(d).log.xz 045184728.td-b3lyp_6-31g+(d).inp 045184728.td-b3lyp_6-31g+(d).log.xz

045184728.td-b3lyp_6-31+g(d).qchem.inp (generated)

045184728.td-b3lyp_6-31+g(d).gjf (generated)

045184728.td-b3lyp_6-31+g(d).firefly.inp (generated)

045184728.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045184728.mol 045184728.PUBCHEM 045184728.mol (via Jmol)
045185383.b3lyp_6-31g(d).inp

045185383.b3lyp_6-31g(d).qchem.inp (generated)

045185383.b3lyp_6-31g(d).gjf (generated)

045185383.b3lyp_6-31g(d).firefly.inp (generated)

045185383.b3lyp_6-31g(d).smash.inp (generated)

045185383.b3lyp_6-31g(d).nwchem.inp (generated) 045185383.b3lyp_6-31g(d).log.xz 045185383.mol 045185383.PUBCHEM 045185383.mol (via Jmol)
045185401.b3lyp_6-31g(d).inp

045185401.b3lyp_6-31g(d).qchem.inp (generated)

045185401.b3lyp_6-31g(d).gjf (generated)

045185401.b3lyp_6-31g(d).firefly.inp (generated)

045185401.b3lyp_6-31g(d).smash.inp (generated)

045185401.b3lyp_6-31g(d).nwchem.inp (generated) 045185401.b3lyp_6-31g(d).log.xz 045185401.td-b3lyp_6-31g+(d).inp 045185401.td-b3lyp_6-31g+(d).log.xz

045185401.td-b3lyp_6-31+g(d).qchem.inp (generated)

045185401.td-b3lyp_6-31+g(d).gjf (generated)

045185401.td-b3lyp_6-31+g(d).firefly.inp (generated)

045185401.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045185401.mol 045185401.PUBCHEM 045185401.mol (via Jmol)
045185538.b3lyp_6-31g(d).inp

045185538.b3lyp_6-31g(d).qchem.inp (generated)

045185538.b3lyp_6-31g(d).gjf (generated)

045185538.b3lyp_6-31g(d).firefly.inp (generated)

045185538.b3lyp_6-31g(d).smash.inp (generated)

045185538.b3lyp_6-31g(d).nwchem.inp (generated) 045185538.b3lyp_6-31g(d).log.xz 045185538.td-b3lyp_6-31g+(d).inp 045185538.td-b3lyp_6-31g+(d).log.xz

045185538.td-b3lyp_6-31+g(d).qchem.inp (generated)

045185538.td-b3lyp_6-31+g(d).gjf (generated)

045185538.td-b3lyp_6-31+g(d).firefly.inp (generated)

045185538.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045185538.mol 045185538.PUBCHEM 045185538.mol (via Jmol)
045188005.b3lyp_6-31g(d).inp

045188005.b3lyp_6-31g(d).qchem.inp (generated)

045188005.b3lyp_6-31g(d).gjf (generated)

045188005.b3lyp_6-31g(d).firefly.inp (generated)

045188005.b3lyp_6-31g(d).smash.inp (generated)

045188005.b3lyp_6-31g(d).nwchem.inp (generated) 045188005.b3lyp_6-31g(d).log.xz 045188005.td-b3lyp_6-31g+(d).inp 045188005.td-b3lyp_6-31g+(d).log.xz

045188005.td-b3lyp_6-31+g(d).qchem.inp (generated)

045188005.td-b3lyp_6-31+g(d).gjf (generated)

045188005.td-b3lyp_6-31+g(d).firefly.inp (generated)

045188005.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045188005.mol 045188005.PUBCHEM 045188005.mol (via Jmol)
045188041.b3lyp_6-31g(d).inp

045188041.b3lyp_6-31g(d).qchem.inp (generated)

045188041.b3lyp_6-31g(d).gjf (generated)

045188041.b3lyp_6-31g(d).firefly.inp (generated)

045188041.b3lyp_6-31g(d).smash.inp (generated)

045188041.b3lyp_6-31g(d).nwchem.inp (generated) 045188041.b3lyp_6-31g(d).log.xz 045188041.mol 045188041.PUBCHEM 045188041.mol (via Jmol)
045189992.b3lyp_6-31g(d).inp

045189992.b3lyp_6-31g(d).qchem.inp (generated)

045189992.b3lyp_6-31g(d).gjf (generated)

045189992.b3lyp_6-31g(d).firefly.inp (generated)

045189992.b3lyp_6-31g(d).smash.inp (generated)

045189992.b3lyp_6-31g(d).nwchem.inp (generated) 045189992.b3lyp_6-31g(d).log.xz 045189992.mol 045189992.PUBCHEM 045189992.mol (via Jmol)
045190099.b3lyp_6-31g(d).inp

045190099.b3lyp_6-31g(d).qchem.inp (generated)

045190099.b3lyp_6-31g(d).gjf (generated)

045190099.b3lyp_6-31g(d).firefly.inp (generated)

045190099.b3lyp_6-31g(d).smash.inp (generated)

045190099.b3lyp_6-31g(d).nwchem.inp (generated) 045190099.b3lyp_6-31g(d).log.xz 045190099.td-b3lyp_6-31g+(d).inp 045190099.td-b3lyp_6-31g+(d).log.xz

045190099.td-b3lyp_6-31+g(d).qchem.inp (generated)

045190099.td-b3lyp_6-31+g(d).gjf (generated)

045190099.td-b3lyp_6-31+g(d).firefly.inp (generated)

045190099.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045190099.mol 045190099.PUBCHEM 045190099.mol (via Jmol)
045190515.b3lyp_6-31g(d).inp

045190515.b3lyp_6-31g(d).qchem.inp (generated)

045190515.b3lyp_6-31g(d).gjf (generated)

045190515.b3lyp_6-31g(d).firefly.inp (generated)

045190515.b3lyp_6-31g(d).smash.inp (generated)

045190515.b3lyp_6-31g(d).nwchem.inp (generated) 045190515.b3lyp_6-31g(d).log.xz 045190515.td-b3lyp_6-31g+(d).inp 045190515.td-b3lyp_6-31g+(d).log.xz

045190515.td-b3lyp_6-31+g(d).qchem.inp (generated)

045190515.td-b3lyp_6-31+g(d).gjf (generated)

045190515.td-b3lyp_6-31+g(d).firefly.inp (generated)

045190515.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045190515.mol 045190515.PUBCHEM 045190515.mol (via Jmol)
045190989.b3lyp_6-31g(d).inp

045190989.b3lyp_6-31g(d).qchem.inp (generated)

045190989.b3lyp_6-31g(d).gjf (generated)

045190989.b3lyp_6-31g(d).firefly.inp (generated)

045190989.b3lyp_6-31g(d).smash.inp (generated)

045190989.b3lyp_6-31g(d).nwchem.inp (generated) 045190989.b3lyp_6-31g(d).log.xz 045190989.td-b3lyp_6-31g+(d).inp 045190989.td-b3lyp_6-31g+(d).log.xz

045190989.td-b3lyp_6-31+g(d).qchem.inp (generated)

045190989.td-b3lyp_6-31+g(d).gjf (generated)

045190989.td-b3lyp_6-31+g(d).firefly.inp (generated)

045190989.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045190989.mol 045190989.PUBCHEM 045190989.mol (via Jmol)
045192064.b3lyp_6-31g(d).inp

045192064.b3lyp_6-31g(d).qchem.inp (generated)

045192064.b3lyp_6-31g(d).gjf (generated)

045192064.b3lyp_6-31g(d).firefly.inp (generated)

045192064.b3lyp_6-31g(d).smash.inp (generated)

045192064.b3lyp_6-31g(d).nwchem.inp (generated) 045192064.b3lyp_6-31g(d).log.xz 045192064.td-b3lyp_6-31g+(d).inp 045192064.td-b3lyp_6-31g+(d).log.xz

045192064.td-b3lyp_6-31+g(d).qchem.inp (generated)

045192064.td-b3lyp_6-31+g(d).gjf (generated)

045192064.td-b3lyp_6-31+g(d).firefly.inp (generated)

045192064.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045192064.mol 045192064.PUBCHEM 045192064.mol (via Jmol)
045192216.b3lyp_6-31g(d).inp

045192216.b3lyp_6-31g(d).qchem.inp (generated)

045192216.b3lyp_6-31g(d).gjf (generated)

045192216.b3lyp_6-31g(d).firefly.inp (generated)

045192216.b3lyp_6-31g(d).smash.inp (generated)

045192216.b3lyp_6-31g(d).nwchem.inp (generated) 045192216.b3lyp_6-31g(d).log.xz 045192216.td-b3lyp_6-31g+(d).inp 045192216.td-b3lyp_6-31g+(d).log.xz

045192216.td-b3lyp_6-31+g(d).qchem.inp (generated)

045192216.td-b3lyp_6-31+g(d).gjf (generated)

045192216.td-b3lyp_6-31+g(d).firefly.inp (generated)

045192216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045192216.mol 045192216.PUBCHEM 045192216.mol (via Jmol)
045196662.b3lyp_6-31g(d).inp

045196662.b3lyp_6-31g(d).qchem.inp (generated)

045196662.b3lyp_6-31g(d).gjf (generated)

045196662.b3lyp_6-31g(d).firefly.inp (generated)

045196662.b3lyp_6-31g(d).smash.inp (generated)

045196662.b3lyp_6-31g(d).nwchem.inp (generated) 045196662.b3lyp_6-31g(d).log.xz 045196662.mol 045196662.PUBCHEM 045196662.mol (via Jmol)
045196781.b3lyp_6-31g(d).inp

045196781.b3lyp_6-31g(d).qchem.inp (generated)

045196781.b3lyp_6-31g(d).gjf (generated)

045196781.b3lyp_6-31g(d).firefly.inp (generated)

045196781.b3lyp_6-31g(d).smash.inp (generated)

045196781.b3lyp_6-31g(d).nwchem.inp (generated) 045196781.b3lyp_6-31g(d).log.xz 045196781.td-b3lyp_6-31g+(d).inp 045196781.td-b3lyp_6-31g+(d).log.xz

045196781.td-b3lyp_6-31+g(d).qchem.inp (generated)

045196781.td-b3lyp_6-31+g(d).gjf (generated)

045196781.td-b3lyp_6-31+g(d).firefly.inp (generated)

045196781.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045196781.mol 045196781.PUBCHEM 045196781.mol (via Jmol)
045198177.b3lyp_6-31g(d).inp

045198177.b3lyp_6-31g(d).qchem.inp (generated)

045198177.b3lyp_6-31g(d).gjf (generated)

045198177.b3lyp_6-31g(d).firefly.inp (generated)

045198177.b3lyp_6-31g(d).smash.inp (generated)

045198177.b3lyp_6-31g(d).nwchem.inp (generated) 045198177.b3lyp_6-31g(d).log.xz 045198177.td-b3lyp_6-31g+(d).inp 045198177.td-b3lyp_6-31g+(d).log.xz

045198177.td-b3lyp_6-31+g(d).qchem.inp (generated)

045198177.td-b3lyp_6-31+g(d).gjf (generated)

045198177.td-b3lyp_6-31+g(d).firefly.inp (generated)

045198177.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045198177.mol 045198177.PUBCHEM 045198177.mol (via Jmol)
045198859.b3lyp_6-31g(d).inp

045198859.b3lyp_6-31g(d).qchem.inp (generated)

045198859.b3lyp_6-31g(d).gjf (generated)

045198859.b3lyp_6-31g(d).firefly.inp (generated)

045198859.b3lyp_6-31g(d).smash.inp (generated)

045198859.b3lyp_6-31g(d).nwchem.inp (generated) 045198859.b3lyp_6-31g(d).log.xz 045198859.td-b3lyp_6-31g+(d).inp 045198859.td-b3lyp_6-31g+(d).log.xz

045198859.td-b3lyp_6-31+g(d).qchem.inp (generated)

045198859.td-b3lyp_6-31+g(d).gjf (generated)

045198859.td-b3lyp_6-31+g(d).firefly.inp (generated)

045198859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045198859.mol 045198859.PUBCHEM 045198859.mol (via Jmol)
045199158.b3lyp_6-31g(d).inp

045199158.b3lyp_6-31g(d).qchem.inp (generated)

045199158.b3lyp_6-31g(d).gjf (generated)

045199158.b3lyp_6-31g(d).firefly.inp (generated)

045199158.b3lyp_6-31g(d).smash.inp (generated)

045199158.b3lyp_6-31g(d).nwchem.inp (generated) 045199158.b3lyp_6-31g(d).log.xz 045199158.td-b3lyp_6-31g+(d).inp 045199158.td-b3lyp_6-31g+(d).log.xz

045199158.td-b3lyp_6-31+g(d).qchem.inp (generated)

045199158.td-b3lyp_6-31+g(d).gjf (generated)

045199158.td-b3lyp_6-31+g(d).firefly.inp (generated)

045199158.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045199158.mol 045199158.PUBCHEM 045199158.mol (via Jmol)
045199748.b3lyp_6-31g(d).inp

045199748.b3lyp_6-31g(d).qchem.inp (generated)

045199748.b3lyp_6-31g(d).gjf (generated)

045199748.b3lyp_6-31g(d).firefly.inp (generated)

045199748.b3lyp_6-31g(d).smash.inp (generated)

045199748.b3lyp_6-31g(d).nwchem.inp (generated) 045199748.b3lyp_6-31g(d).log.xz 045199748.td-b3lyp_6-31g+(d).inp 045199748.td-b3lyp_6-31g+(d).log.xz

045199748.td-b3lyp_6-31+g(d).qchem.inp (generated)

045199748.td-b3lyp_6-31+g(d).gjf (generated)

045199748.td-b3lyp_6-31+g(d).firefly.inp (generated)

045199748.td-b3lyp_6-31+g(d).nwchem.inp (generated) 045199748.mol 045199748.PUBCHEM 045199748.mol (via Jmol)


maho@riken.jp/maho.nakata@gmail.com