Index of

Last updated : Thu Jun 22 02:29:55 JST 2017
Total : 59 (47) in this page
027025222.b3lyp_6-31g(d).inp

027025222.b3lyp_6-31g(d).qchem.inp (generated)

027025222.b3lyp_6-31g(d).gjf (generated)

027025222.b3lyp_6-31g(d).firefly.inp (generated)

027025222.b3lyp_6-31g(d).smash.inp (generated)

027025222.b3lyp_6-31g(d).nwchem.inp (generated) 027025222.b3lyp_6-31g(d).log.xz 027025222.td-b3lyp_6-31g+(d).inp 027025222.td-b3lyp_6-31g+(d).log.xz

027025222.td-b3lyp_6-31+g(d).qchem.inp (generated)

027025222.td-b3lyp_6-31+g(d).gjf (generated)

027025222.td-b3lyp_6-31+g(d).firefly.inp (generated)

027025222.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027025222.mol 027025222.PUBCHEM 027025222.mol (via Jmol)
027026137.b3lyp_6-31g(d).inp

027026137.b3lyp_6-31g(d).qchem.inp (generated)

027026137.b3lyp_6-31g(d).gjf (generated)

027026137.b3lyp_6-31g(d).firefly.inp (generated)

027026137.b3lyp_6-31g(d).smash.inp (generated)

027026137.b3lyp_6-31g(d).nwchem.inp (generated) 027026137.b3lyp_6-31g(d).log.xz 027026137.td-b3lyp_6-31g+(d).inp 027026137.td-b3lyp_6-31g+(d).log.xz

027026137.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026137.td-b3lyp_6-31+g(d).gjf (generated)

027026137.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026137.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026137.mol 027026137.PUBCHEM 027026137.mol (via Jmol)
027026156.b3lyp_6-31g(d).inp

027026156.b3lyp_6-31g(d).qchem.inp (generated)

027026156.b3lyp_6-31g(d).gjf (generated)

027026156.b3lyp_6-31g(d).firefly.inp (generated)

027026156.b3lyp_6-31g(d).smash.inp (generated)

027026156.b3lyp_6-31g(d).nwchem.inp (generated) 027026156.b3lyp_6-31g(d).log.xz 027026156.td-b3lyp_6-31g+(d).inp 027026156.td-b3lyp_6-31g+(d).log.xz

027026156.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026156.td-b3lyp_6-31+g(d).gjf (generated)

027026156.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026156.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026156.mol 027026156.PUBCHEM 027026156.mol (via Jmol)
027026271.b3lyp_6-31g(d).inp

027026271.b3lyp_6-31g(d).qchem.inp (generated)

027026271.b3lyp_6-31g(d).gjf (generated)

027026271.b3lyp_6-31g(d).firefly.inp (generated)

027026271.b3lyp_6-31g(d).smash.inp (generated)

027026271.b3lyp_6-31g(d).nwchem.inp (generated) 027026271.b3lyp_6-31g(d).log.xz 027026271.td-b3lyp_6-31g+(d).inp 027026271.td-b3lyp_6-31g+(d).log.xz

027026271.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026271.td-b3lyp_6-31+g(d).gjf (generated)

027026271.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026271.mol 027026271.PUBCHEM 027026271.mol (via Jmol)
027026324.b3lyp_6-31g(d).inp

027026324.b3lyp_6-31g(d).qchem.inp (generated)

027026324.b3lyp_6-31g(d).gjf (generated)

027026324.b3lyp_6-31g(d).firefly.inp (generated)

027026324.b3lyp_6-31g(d).smash.inp (generated)

027026324.b3lyp_6-31g(d).nwchem.inp (generated) 027026324.b3lyp_6-31g(d).log.xz 027026324.td-b3lyp_6-31g+(d).inp 027026324.td-b3lyp_6-31g+(d).log.xz

027026324.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026324.td-b3lyp_6-31+g(d).gjf (generated)

027026324.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026324.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026324.mol 027026324.PUBCHEM 027026324.mol (via Jmol)
027026414.b3lyp_6-31g(d).inp

027026414.b3lyp_6-31g(d).qchem.inp (generated)

027026414.b3lyp_6-31g(d).gjf (generated)

027026414.b3lyp_6-31g(d).firefly.inp (generated)

027026414.b3lyp_6-31g(d).smash.inp (generated)

027026414.b3lyp_6-31g(d).nwchem.inp (generated) 027026414.b3lyp_6-31g(d).log.xz 027026414.td-b3lyp_6-31g+(d).inp 027026414.td-b3lyp_6-31g+(d).log.xz

027026414.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026414.td-b3lyp_6-31+g(d).gjf (generated)

027026414.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026414.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026414.mol 027026414.PUBCHEM 027026414.mol (via Jmol)
027026433.b3lyp_6-31g(d).inp

027026433.b3lyp_6-31g(d).qchem.inp (generated)

027026433.b3lyp_6-31g(d).gjf (generated)

027026433.b3lyp_6-31g(d).firefly.inp (generated)

027026433.b3lyp_6-31g(d).smash.inp (generated)

027026433.b3lyp_6-31g(d).nwchem.inp (generated) 027026433.b3lyp_6-31g(d).log.xz 027026433.td-b3lyp_6-31g+(d).inp 027026433.td-b3lyp_6-31g+(d).log.xz

027026433.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026433.td-b3lyp_6-31+g(d).gjf (generated)

027026433.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026433.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026433.mol 027026433.PUBCHEM 027026433.mol (via Jmol)
027026435.b3lyp_6-31g(d).inp

027026435.b3lyp_6-31g(d).qchem.inp (generated)

027026435.b3lyp_6-31g(d).gjf (generated)

027026435.b3lyp_6-31g(d).firefly.inp (generated)

027026435.b3lyp_6-31g(d).smash.inp (generated)

027026435.b3lyp_6-31g(d).nwchem.inp (generated) 027026435.b3lyp_6-31g(d).log.xz 027026435.mol 027026435.PUBCHEM 027026435.mol (via Jmol)
027026444.b3lyp_6-31g(d).inp

027026444.b3lyp_6-31g(d).qchem.inp (generated)

027026444.b3lyp_6-31g(d).gjf (generated)

027026444.b3lyp_6-31g(d).firefly.inp (generated)

027026444.b3lyp_6-31g(d).smash.inp (generated)

027026444.b3lyp_6-31g(d).nwchem.inp (generated) 027026444.b3lyp_6-31g(d).log.xz 027026444.mol 027026444.PUBCHEM 027026444.mol (via Jmol)
027026450.b3lyp_6-31g(d).inp

027026450.b3lyp_6-31g(d).qchem.inp (generated)

027026450.b3lyp_6-31g(d).gjf (generated)

027026450.b3lyp_6-31g(d).firefly.inp (generated)

027026450.b3lyp_6-31g(d).smash.inp (generated)

027026450.b3lyp_6-31g(d).nwchem.inp (generated) 027026450.b3lyp_6-31g(d).log.xz 027026450.td-b3lyp_6-31g+(d).inp 027026450.td-b3lyp_6-31g+(d).log.xz

027026450.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026450.td-b3lyp_6-31+g(d).gjf (generated)

027026450.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026450.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026450.mol 027026450.PUBCHEM 027026450.mol (via Jmol)
027026494.b3lyp_6-31g(d).inp

027026494.b3lyp_6-31g(d).qchem.inp (generated)

027026494.b3lyp_6-31g(d).gjf (generated)

027026494.b3lyp_6-31g(d).firefly.inp (generated)

027026494.b3lyp_6-31g(d).smash.inp (generated)

027026494.b3lyp_6-31g(d).nwchem.inp (generated) 027026494.b3lyp_6-31g(d).log.xz 027026494.td-b3lyp_6-31g+(d).inp 027026494.td-b3lyp_6-31g+(d).log.xz

027026494.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026494.td-b3lyp_6-31+g(d).gjf (generated)

027026494.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026494.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026494.mol 027026494.PUBCHEM 027026494.mol (via Jmol)
027026515.b3lyp_6-31g(d).inp

027026515.b3lyp_6-31g(d).qchem.inp (generated)

027026515.b3lyp_6-31g(d).gjf (generated)

027026515.b3lyp_6-31g(d).firefly.inp (generated)

027026515.b3lyp_6-31g(d).smash.inp (generated)

027026515.b3lyp_6-31g(d).nwchem.inp (generated) 027026515.b3lyp_6-31g(d).log.xz 027026515.mol 027026515.PUBCHEM 027026515.mol (via Jmol)
027026516.b3lyp_6-31g(d).inp

027026516.b3lyp_6-31g(d).qchem.inp (generated)

027026516.b3lyp_6-31g(d).gjf (generated)

027026516.b3lyp_6-31g(d).firefly.inp (generated)

027026516.b3lyp_6-31g(d).smash.inp (generated)

027026516.b3lyp_6-31g(d).nwchem.inp (generated) 027026516.b3lyp_6-31g(d).log.xz 027026516.td-b3lyp_6-31g+(d).inp 027026516.td-b3lyp_6-31g+(d).log.xz

027026516.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026516.td-b3lyp_6-31+g(d).gjf (generated)

027026516.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026516.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026516.mol 027026516.PUBCHEM 027026516.mol (via Jmol)
027026622.b3lyp_6-31g(d).inp

027026622.b3lyp_6-31g(d).qchem.inp (generated)

027026622.b3lyp_6-31g(d).gjf (generated)

027026622.b3lyp_6-31g(d).firefly.inp (generated)

027026622.b3lyp_6-31g(d).smash.inp (generated)

027026622.b3lyp_6-31g(d).nwchem.inp (generated) 027026622.b3lyp_6-31g(d).log.xz 027026622.td-b3lyp_6-31g+(d).inp 027026622.td-b3lyp_6-31g+(d).log.xz

027026622.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026622.td-b3lyp_6-31+g(d).gjf (generated)

027026622.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026622.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026622.mol 027026622.PUBCHEM 027026622.mol (via Jmol)
027026784.b3lyp_6-31g(d).inp

027026784.b3lyp_6-31g(d).qchem.inp (generated)

027026784.b3lyp_6-31g(d).gjf (generated)

027026784.b3lyp_6-31g(d).firefly.inp (generated)

027026784.b3lyp_6-31g(d).smash.inp (generated)

027026784.b3lyp_6-31g(d).nwchem.inp (generated) 027026784.b3lyp_6-31g(d).log.xz 027026784.td-b3lyp_6-31g+(d).inp 027026784.td-b3lyp_6-31g+(d).log.xz

027026784.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026784.td-b3lyp_6-31+g(d).gjf (generated)

027026784.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026784.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026784.mol 027026784.PUBCHEM 027026784.mol (via Jmol)
027026868.b3lyp_6-31g(d).inp

027026868.b3lyp_6-31g(d).qchem.inp (generated)

027026868.b3lyp_6-31g(d).gjf (generated)

027026868.b3lyp_6-31g(d).firefly.inp (generated)

027026868.b3lyp_6-31g(d).smash.inp (generated)

027026868.b3lyp_6-31g(d).nwchem.inp (generated) 027026868.b3lyp_6-31g(d).log.xz 027026868.td-b3lyp_6-31g+(d).inp 027026868.td-b3lyp_6-31g+(d).log.xz

027026868.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026868.td-b3lyp_6-31+g(d).gjf (generated)

027026868.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026868.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026868.mol 027026868.PUBCHEM 027026868.mol (via Jmol)
027026995.b3lyp_6-31g(d).inp

027026995.b3lyp_6-31g(d).qchem.inp (generated)

027026995.b3lyp_6-31g(d).gjf (generated)

027026995.b3lyp_6-31g(d).firefly.inp (generated)

027026995.b3lyp_6-31g(d).smash.inp (generated)

027026995.b3lyp_6-31g(d).nwchem.inp (generated) 027026995.b3lyp_6-31g(d).log.xz 027026995.td-b3lyp_6-31g+(d).inp 027026995.td-b3lyp_6-31g+(d).log.xz

027026995.td-b3lyp_6-31+g(d).qchem.inp (generated)

027026995.td-b3lyp_6-31+g(d).gjf (generated)

027026995.td-b3lyp_6-31+g(d).firefly.inp (generated)

027026995.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027026995.mol 027026995.PUBCHEM 027026995.mol (via Jmol)
027033998.b3lyp_6-31g(d).inp

027033998.b3lyp_6-31g(d).qchem.inp (generated)

027033998.b3lyp_6-31g(d).gjf (generated)

027033998.b3lyp_6-31g(d).firefly.inp (generated)

027033998.b3lyp_6-31g(d).smash.inp (generated)

027033998.b3lyp_6-31g(d).nwchem.inp (generated) 027033998.b3lyp_6-31g(d).log.xz 027033998.mol 027033998.PUBCHEM 027033998.mol (via Jmol)
027035855.b3lyp_6-31g(d).inp

027035855.b3lyp_6-31g(d).qchem.inp (generated)

027035855.b3lyp_6-31g(d).gjf (generated)

027035855.b3lyp_6-31g(d).firefly.inp (generated)

027035855.b3lyp_6-31g(d).smash.inp (generated)

027035855.b3lyp_6-31g(d).nwchem.inp (generated) 027035855.b3lyp_6-31g(d).log.xz 027035855.td-b3lyp_6-31g+(d).inp 027035855.td-b3lyp_6-31g+(d).log.xz

027035855.td-b3lyp_6-31+g(d).qchem.inp (generated)

027035855.td-b3lyp_6-31+g(d).gjf (generated)

027035855.td-b3lyp_6-31+g(d).firefly.inp (generated)

027035855.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027035855.mol 027035855.PUBCHEM 027035855.mol (via Jmol)
027035858.b3lyp_6-31g(d).inp

027035858.b3lyp_6-31g(d).qchem.inp (generated)

027035858.b3lyp_6-31g(d).gjf (generated)

027035858.b3lyp_6-31g(d).firefly.inp (generated)

027035858.b3lyp_6-31g(d).smash.inp (generated)

027035858.b3lyp_6-31g(d).nwchem.inp (generated) 027035858.b3lyp_6-31g(d).log.xz 027035858.td-b3lyp_6-31g+(d).inp 027035858.td-b3lyp_6-31g+(d).log.xz

027035858.td-b3lyp_6-31+g(d).qchem.inp (generated)

027035858.td-b3lyp_6-31+g(d).gjf (generated)

027035858.td-b3lyp_6-31+g(d).firefly.inp (generated)

027035858.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027035858.mol 027035858.PUBCHEM 027035858.mol (via Jmol)
027035859.b3lyp_6-31g(d).inp

027035859.b3lyp_6-31g(d).qchem.inp (generated)

027035859.b3lyp_6-31g(d).gjf (generated)

027035859.b3lyp_6-31g(d).firefly.inp (generated)

027035859.b3lyp_6-31g(d).smash.inp (generated)

027035859.b3lyp_6-31g(d).nwchem.inp (generated) 027035859.b3lyp_6-31g(d).log.xz 027035859.td-b3lyp_6-31g+(d).inp 027035859.td-b3lyp_6-31g+(d).log.xz

027035859.td-b3lyp_6-31+g(d).qchem.inp (generated)

027035859.td-b3lyp_6-31+g(d).gjf (generated)

027035859.td-b3lyp_6-31+g(d).firefly.inp (generated)

027035859.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027035859.mol 027035859.PUBCHEM 027035859.mol (via Jmol)
027035951.b3lyp_6-31g(d).inp

027035951.b3lyp_6-31g(d).qchem.inp (generated)

027035951.b3lyp_6-31g(d).gjf (generated)

027035951.b3lyp_6-31g(d).firefly.inp (generated)

027035951.b3lyp_6-31g(d).smash.inp (generated)

027035951.b3lyp_6-31g(d).nwchem.inp (generated) 027035951.b3lyp_6-31g(d).log.xz 027035951.td-b3lyp_6-31g+(d).inp 027035951.td-b3lyp_6-31g+(d).log.xz

027035951.td-b3lyp_6-31+g(d).qchem.inp (generated)

027035951.td-b3lyp_6-31+g(d).gjf (generated)

027035951.td-b3lyp_6-31+g(d).firefly.inp (generated)

027035951.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027035951.mol 027035951.PUBCHEM 027035951.mol (via Jmol)
027035994.b3lyp_6-31g(d).inp

027035994.b3lyp_6-31g(d).qchem.inp (generated)

027035994.b3lyp_6-31g(d).gjf (generated)

027035994.b3lyp_6-31g(d).firefly.inp (generated)

027035994.b3lyp_6-31g(d).smash.inp (generated)

027035994.b3lyp_6-31g(d).nwchem.inp (generated) 027035994.b3lyp_6-31g(d).log.xz 027035994.mol 027035994.PUBCHEM 027035994.mol (via Jmol)
027036291.b3lyp_6-31g(d).inp

027036291.b3lyp_6-31g(d).qchem.inp (generated)

027036291.b3lyp_6-31g(d).gjf (generated)

027036291.b3lyp_6-31g(d).firefly.inp (generated)

027036291.b3lyp_6-31g(d).smash.inp (generated)

027036291.b3lyp_6-31g(d).nwchem.inp (generated) 027036291.b3lyp_6-31g(d).log.xz 027036291.mol 027036291.PUBCHEM 027036291.mol (via Jmol)
027036354.b3lyp_6-31g(d).inp

027036354.b3lyp_6-31g(d).qchem.inp (generated)

027036354.b3lyp_6-31g(d).gjf (generated)

027036354.b3lyp_6-31g(d).firefly.inp (generated)

027036354.b3lyp_6-31g(d).smash.inp (generated)

027036354.b3lyp_6-31g(d).nwchem.inp (generated) 027036354.b3lyp_6-31g(d).log.xz 027036354.td-b3lyp_6-31g+(d).inp 027036354.td-b3lyp_6-31g+(d).log.xz

027036354.td-b3lyp_6-31+g(d).qchem.inp (generated)

027036354.td-b3lyp_6-31+g(d).gjf (generated)

027036354.td-b3lyp_6-31+g(d).firefly.inp (generated)

027036354.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027036354.mol 027036354.PUBCHEM 027036354.mol (via Jmol)
027036358.b3lyp_6-31g(d).inp

027036358.b3lyp_6-31g(d).qchem.inp (generated)

027036358.b3lyp_6-31g(d).gjf (generated)

027036358.b3lyp_6-31g(d).firefly.inp (generated)

027036358.b3lyp_6-31g(d).smash.inp (generated)

027036358.b3lyp_6-31g(d).nwchem.inp (generated) 027036358.b3lyp_6-31g(d).log.xz 027036358.td-b3lyp_6-31g+(d).inp 027036358.td-b3lyp_6-31g+(d).log.xz

027036358.td-b3lyp_6-31+g(d).qchem.inp (generated)

027036358.td-b3lyp_6-31+g(d).gjf (generated)

027036358.td-b3lyp_6-31+g(d).firefly.inp (generated)

027036358.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027036358.mol 027036358.PUBCHEM 027036358.mol (via Jmol)
027036448.b3lyp_6-31g(d).inp

027036448.b3lyp_6-31g(d).qchem.inp (generated)

027036448.b3lyp_6-31g(d).gjf (generated)

027036448.b3lyp_6-31g(d).firefly.inp (generated)

027036448.b3lyp_6-31g(d).smash.inp (generated)

027036448.b3lyp_6-31g(d).nwchem.inp (generated) 027036448.b3lyp_6-31g(d).log.xz 027036448.td-b3lyp_6-31g+(d).inp 027036448.td-b3lyp_6-31g+(d).log.xz

027036448.td-b3lyp_6-31+g(d).qchem.inp (generated)

027036448.td-b3lyp_6-31+g(d).gjf (generated)

027036448.td-b3lyp_6-31+g(d).firefly.inp (generated)

027036448.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027036448.mol 027036448.PUBCHEM 027036448.mol (via Jmol)
027036583.b3lyp_6-31g(d).inp

027036583.b3lyp_6-31g(d).qchem.inp (generated)

027036583.b3lyp_6-31g(d).gjf (generated)

027036583.b3lyp_6-31g(d).firefly.inp (generated)

027036583.b3lyp_6-31g(d).smash.inp (generated)

027036583.b3lyp_6-31g(d).nwchem.inp (generated) 027036583.b3lyp_6-31g(d).log.xz 027036583.td-b3lyp_6-31g+(d).inp 027036583.td-b3lyp_6-31g+(d).log.xz

027036583.td-b3lyp_6-31+g(d).qchem.inp (generated)

027036583.td-b3lyp_6-31+g(d).gjf (generated)

027036583.td-b3lyp_6-31+g(d).firefly.inp (generated)

027036583.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027036583.mol 027036583.PUBCHEM 027036583.mol (via Jmol)
027039307.b3lyp_6-31g(d).inp

027039307.b3lyp_6-31g(d).qchem.inp (generated)

027039307.b3lyp_6-31g(d).gjf (generated)

027039307.b3lyp_6-31g(d).firefly.inp (generated)

027039307.b3lyp_6-31g(d).smash.inp (generated)

027039307.b3lyp_6-31g(d).nwchem.inp (generated) 027039307.b3lyp_6-31g(d).log.xz 027039307.td-b3lyp_6-31g+(d).inp 027039307.td-b3lyp_6-31g+(d).log.xz

027039307.td-b3lyp_6-31+g(d).qchem.inp (generated)

027039307.td-b3lyp_6-31+g(d).gjf (generated)

027039307.td-b3lyp_6-31+g(d).firefly.inp (generated)

027039307.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027039307.mol 027039307.PUBCHEM 027039307.mol (via Jmol)
027039355.b3lyp_6-31g(d).inp

027039355.b3lyp_6-31g(d).qchem.inp (generated)

027039355.b3lyp_6-31g(d).gjf (generated)

027039355.b3lyp_6-31g(d).firefly.inp (generated)

027039355.b3lyp_6-31g(d).smash.inp (generated)

027039355.b3lyp_6-31g(d).nwchem.inp (generated) 027039355.b3lyp_6-31g(d).log.xz 027039355.mol 027039355.PUBCHEM 027039355.mol (via Jmol)
027039365.b3lyp_6-31g(d).inp

027039365.b3lyp_6-31g(d).qchem.inp (generated)

027039365.b3lyp_6-31g(d).gjf (generated)

027039365.b3lyp_6-31g(d).firefly.inp (generated)

027039365.b3lyp_6-31g(d).smash.inp (generated)

027039365.b3lyp_6-31g(d).nwchem.inp (generated) 027039365.b3lyp_6-31g(d).log.xz 027039365.td-b3lyp_6-31g+(d).inp 027039365.td-b3lyp_6-31g+(d).log.xz

027039365.td-b3lyp_6-31+g(d).qchem.inp (generated)

027039365.td-b3lyp_6-31+g(d).gjf (generated)

027039365.td-b3lyp_6-31+g(d).firefly.inp (generated)

027039365.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027039365.mol 027039365.PUBCHEM 027039365.mol (via Jmol)
027041288.b3lyp_6-31g(d).inp

027041288.b3lyp_6-31g(d).qchem.inp (generated)

027041288.b3lyp_6-31g(d).gjf (generated)

027041288.b3lyp_6-31g(d).firefly.inp (generated)

027041288.b3lyp_6-31g(d).smash.inp (generated)

027041288.b3lyp_6-31g(d).nwchem.inp (generated) 027041288.b3lyp_6-31g(d).log.xz 027041288.td-b3lyp_6-31g+(d).inp 027041288.td-b3lyp_6-31g+(d).log.xz

027041288.td-b3lyp_6-31+g(d).qchem.inp (generated)

027041288.td-b3lyp_6-31+g(d).gjf (generated)

027041288.td-b3lyp_6-31+g(d).firefly.inp (generated)

027041288.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027041288.mol 027041288.PUBCHEM 027041288.mol (via Jmol)
027042046.b3lyp_6-31g(d).inp

027042046.b3lyp_6-31g(d).qchem.inp (generated)

027042046.b3lyp_6-31g(d).gjf (generated)

027042046.b3lyp_6-31g(d).firefly.inp (generated)

027042046.b3lyp_6-31g(d).smash.inp (generated)

027042046.b3lyp_6-31g(d).nwchem.inp (generated) 027042046.b3lyp_6-31g(d).log.xz 027042046.td-b3lyp_6-31g+(d).inp 027042046.td-b3lyp_6-31g+(d).log.xz

027042046.td-b3lyp_6-31+g(d).qchem.inp (generated)

027042046.td-b3lyp_6-31+g(d).gjf (generated)

027042046.td-b3lyp_6-31+g(d).firefly.inp (generated)

027042046.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027042046.mol 027042046.PUBCHEM 027042046.mol (via Jmol)
027042375.b3lyp_6-31g(d).inp

027042375.b3lyp_6-31g(d).qchem.inp (generated)

027042375.b3lyp_6-31g(d).gjf (generated)

027042375.b3lyp_6-31g(d).firefly.inp (generated)

027042375.b3lyp_6-31g(d).smash.inp (generated)

027042375.b3lyp_6-31g(d).nwchem.inp (generated) 027042375.b3lyp_6-31g(d).log.xz 027042375.td-b3lyp_6-31g+(d).inp 027042375.td-b3lyp_6-31g+(d).log.xz

027042375.td-b3lyp_6-31+g(d).qchem.inp (generated)

027042375.td-b3lyp_6-31+g(d).gjf (generated)

027042375.td-b3lyp_6-31+g(d).firefly.inp (generated)

027042375.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027042375.mol 027042375.PUBCHEM 027042375.mol (via Jmol)
027042378.b3lyp_6-31g(d).inp

027042378.b3lyp_6-31g(d).qchem.inp (generated)

027042378.b3lyp_6-31g(d).gjf (generated)

027042378.b3lyp_6-31g(d).firefly.inp (generated)

027042378.b3lyp_6-31g(d).smash.inp (generated)

027042378.b3lyp_6-31g(d).nwchem.inp (generated) 027042378.b3lyp_6-31g(d).log.xz 027042378.td-b3lyp_6-31g+(d).inp 027042378.td-b3lyp_6-31g+(d).log.xz

027042378.td-b3lyp_6-31+g(d).qchem.inp (generated)

027042378.td-b3lyp_6-31+g(d).gjf (generated)

027042378.td-b3lyp_6-31+g(d).firefly.inp (generated)

027042378.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027042378.mol 027042378.PUBCHEM 027042378.mol (via Jmol)
027042537.b3lyp_6-31g(d).inp

027042537.b3lyp_6-31g(d).qchem.inp (generated)

027042537.b3lyp_6-31g(d).gjf (generated)

027042537.b3lyp_6-31g(d).firefly.inp (generated)

027042537.b3lyp_6-31g(d).smash.inp (generated)

027042537.b3lyp_6-31g(d).nwchem.inp (generated) 027042537.b3lyp_6-31g(d).log.xz 027042537.td-b3lyp_6-31g+(d).inp 027042537.td-b3lyp_6-31g+(d).log.xz

027042537.td-b3lyp_6-31+g(d).qchem.inp (generated)

027042537.td-b3lyp_6-31+g(d).gjf (generated)

027042537.td-b3lyp_6-31+g(d).firefly.inp (generated)

027042537.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027042537.mol 027042537.PUBCHEM 027042537.mol (via Jmol)
027042539.b3lyp_6-31g(d).inp

027042539.b3lyp_6-31g(d).qchem.inp (generated)

027042539.b3lyp_6-31g(d).gjf (generated)

027042539.b3lyp_6-31g(d).firefly.inp (generated)

027042539.b3lyp_6-31g(d).smash.inp (generated)

027042539.b3lyp_6-31g(d).nwchem.inp (generated) 027042539.b3lyp_6-31g(d).log.xz 027042539.td-b3lyp_6-31g+(d).inp 027042539.td-b3lyp_6-31g+(d).log.xz

027042539.td-b3lyp_6-31+g(d).qchem.inp (generated)

027042539.td-b3lyp_6-31+g(d).gjf (generated)

027042539.td-b3lyp_6-31+g(d).firefly.inp (generated)

027042539.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027042539.mol 027042539.PUBCHEM 027042539.mol (via Jmol)
027042546.b3lyp_6-31g(d).inp

027042546.b3lyp_6-31g(d).qchem.inp (generated)

027042546.b3lyp_6-31g(d).gjf (generated)

027042546.b3lyp_6-31g(d).firefly.inp (generated)

027042546.b3lyp_6-31g(d).smash.inp (generated)

027042546.b3lyp_6-31g(d).nwchem.inp (generated) 027042546.b3lyp_6-31g(d).log.xz 027042546.td-b3lyp_6-31g+(d).inp 027042546.td-b3lyp_6-31g+(d).log.xz

027042546.td-b3lyp_6-31+g(d).qchem.inp (generated)

027042546.td-b3lyp_6-31+g(d).gjf (generated)

027042546.td-b3lyp_6-31+g(d).firefly.inp (generated)

027042546.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027042546.mol 027042546.PUBCHEM 027042546.mol (via Jmol)
027042548.b3lyp_6-31g(d).inp

027042548.b3lyp_6-31g(d).qchem.inp (generated)

027042548.b3lyp_6-31g(d).gjf (generated)

027042548.b3lyp_6-31g(d).firefly.inp (generated)

027042548.b3lyp_6-31g(d).smash.inp (generated)

027042548.b3lyp_6-31g(d).nwchem.inp (generated) 027042548.b3lyp_6-31g(d).log.xz 027042548.td-b3lyp_6-31g+(d).inp 027042548.td-b3lyp_6-31g+(d).log.xz

027042548.td-b3lyp_6-31+g(d).qchem.inp (generated)

027042548.td-b3lyp_6-31+g(d).gjf (generated)

027042548.td-b3lyp_6-31+g(d).firefly.inp (generated)

027042548.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027042548.mol 027042548.PUBCHEM 027042548.mol (via Jmol)
027042813.b3lyp_6-31g(d).inp

027042813.b3lyp_6-31g(d).qchem.inp (generated)

027042813.b3lyp_6-31g(d).gjf (generated)

027042813.b3lyp_6-31g(d).firefly.inp (generated)

027042813.b3lyp_6-31g(d).smash.inp (generated)

027042813.b3lyp_6-31g(d).nwchem.inp (generated) 027042813.b3lyp_6-31g(d).log.xz 027042813.mol 027042813.PUBCHEM 027042813.mol (via Jmol)
027042820.b3lyp_6-31g(d).inp

027042820.b3lyp_6-31g(d).qchem.inp (generated)

027042820.b3lyp_6-31g(d).gjf (generated)

027042820.b3lyp_6-31g(d).firefly.inp (generated)

027042820.b3lyp_6-31g(d).smash.inp (generated)

027042820.b3lyp_6-31g(d).nwchem.inp (generated) 027042820.b3lyp_6-31g(d).log.xz 027042820.td-b3lyp_6-31g+(d).inp 027042820.td-b3lyp_6-31g+(d).log.xz

027042820.td-b3lyp_6-31+g(d).qchem.inp (generated)

027042820.td-b3lyp_6-31+g(d).gjf (generated)

027042820.td-b3lyp_6-31+g(d).firefly.inp (generated)

027042820.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027042820.mol 027042820.PUBCHEM 027042820.mol (via Jmol)
027043714.b3lyp_6-31g(d).inp

027043714.b3lyp_6-31g(d).qchem.inp (generated)

027043714.b3lyp_6-31g(d).gjf (generated)

027043714.b3lyp_6-31g(d).firefly.inp (generated)

027043714.b3lyp_6-31g(d).smash.inp (generated)

027043714.b3lyp_6-31g(d).nwchem.inp (generated) 027043714.b3lyp_6-31g(d).log.xz 027043714.td-b3lyp_6-31g+(d).inp 027043714.td-b3lyp_6-31g+(d).log.xz

027043714.td-b3lyp_6-31+g(d).qchem.inp (generated)

027043714.td-b3lyp_6-31+g(d).gjf (generated)

027043714.td-b3lyp_6-31+g(d).firefly.inp (generated)

027043714.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027043714.mol 027043714.PUBCHEM 027043714.mol (via Jmol)
027044157.b3lyp_6-31g(d).inp

027044157.b3lyp_6-31g(d).qchem.inp (generated)

027044157.b3lyp_6-31g(d).gjf (generated)

027044157.b3lyp_6-31g(d).firefly.inp (generated)

027044157.b3lyp_6-31g(d).smash.inp (generated)

027044157.b3lyp_6-31g(d).nwchem.inp (generated) 027044157.b3lyp_6-31g(d).log.xz 027044157.td-b3lyp_6-31g+(d).inp 027044157.td-b3lyp_6-31g+(d).log.xz

027044157.td-b3lyp_6-31+g(d).qchem.inp (generated)

027044157.td-b3lyp_6-31+g(d).gjf (generated)

027044157.td-b3lyp_6-31+g(d).firefly.inp (generated)

027044157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027044157.mol 027044157.PUBCHEM 027044157.mol (via Jmol)
027046675.b3lyp_6-31g(d).inp

027046675.b3lyp_6-31g(d).qchem.inp (generated)

027046675.b3lyp_6-31g(d).gjf (generated)

027046675.b3lyp_6-31g(d).firefly.inp (generated)

027046675.b3lyp_6-31g(d).smash.inp (generated)

027046675.b3lyp_6-31g(d).nwchem.inp (generated) 027046675.b3lyp_6-31g(d).log.xz 027046675.td-b3lyp_6-31g+(d).inp 027046675.td-b3lyp_6-31g+(d).log.xz

027046675.td-b3lyp_6-31+g(d).qchem.inp (generated)

027046675.td-b3lyp_6-31+g(d).gjf (generated)

027046675.td-b3lyp_6-31+g(d).firefly.inp (generated)

027046675.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027046675.mol 027046675.PUBCHEM 027046675.mol (via Jmol)
027046706.b3lyp_6-31g(d).inp

027046706.b3lyp_6-31g(d).qchem.inp (generated)

027046706.b3lyp_6-31g(d).gjf (generated)

027046706.b3lyp_6-31g(d).firefly.inp (generated)

027046706.b3lyp_6-31g(d).smash.inp (generated)

027046706.b3lyp_6-31g(d).nwchem.inp (generated) 027046706.b3lyp_6-31g(d).log.xz 027046706.mol 027046706.PUBCHEM 027046706.mol (via Jmol)
027046746.b3lyp_6-31g(d).inp

027046746.b3lyp_6-31g(d).qchem.inp (generated)

027046746.b3lyp_6-31g(d).gjf (generated)

027046746.b3lyp_6-31g(d).firefly.inp (generated)

027046746.b3lyp_6-31g(d).smash.inp (generated)

027046746.b3lyp_6-31g(d).nwchem.inp (generated) 027046746.b3lyp_6-31g(d).log.xz 027046746.td-b3lyp_6-31g+(d).inp 027046746.td-b3lyp_6-31g+(d).log.xz

027046746.td-b3lyp_6-31+g(d).qchem.inp (generated)

027046746.td-b3lyp_6-31+g(d).gjf (generated)

027046746.td-b3lyp_6-31+g(d).firefly.inp (generated)

027046746.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027046746.mol 027046746.PUBCHEM 027046746.mol (via Jmol)
027046765.b3lyp_6-31g(d).inp

027046765.b3lyp_6-31g(d).qchem.inp (generated)

027046765.b3lyp_6-31g(d).gjf (generated)

027046765.b3lyp_6-31g(d).firefly.inp (generated)

027046765.b3lyp_6-31g(d).smash.inp (generated)

027046765.b3lyp_6-31g(d).nwchem.inp (generated) 027046765.b3lyp_6-31g(d).log.xz 027046765.td-b3lyp_6-31g+(d).inp 027046765.td-b3lyp_6-31g+(d).log.xz

027046765.td-b3lyp_6-31+g(d).qchem.inp (generated)

027046765.td-b3lyp_6-31+g(d).gjf (generated)

027046765.td-b3lyp_6-31+g(d).firefly.inp (generated)

027046765.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027046765.mol 027046765.PUBCHEM 027046765.mol (via Jmol)
027046801.b3lyp_6-31g(d).inp

027046801.b3lyp_6-31g(d).qchem.inp (generated)

027046801.b3lyp_6-31g(d).gjf (generated)

027046801.b3lyp_6-31g(d).firefly.inp (generated)

027046801.b3lyp_6-31g(d).smash.inp (generated)

027046801.b3lyp_6-31g(d).nwchem.inp (generated) 027046801.b3lyp_6-31g(d).log.xz 027046801.td-b3lyp_6-31g+(d).inp 027046801.td-b3lyp_6-31g+(d).log.xz

027046801.td-b3lyp_6-31+g(d).qchem.inp (generated)

027046801.td-b3lyp_6-31+g(d).gjf (generated)

027046801.td-b3lyp_6-31+g(d).firefly.inp (generated)

027046801.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027046801.mol 027046801.PUBCHEM 027046801.mol (via Jmol)
027046961.b3lyp_6-31g(d).inp

027046961.b3lyp_6-31g(d).qchem.inp (generated)

027046961.b3lyp_6-31g(d).gjf (generated)

027046961.b3lyp_6-31g(d).firefly.inp (generated)

027046961.b3lyp_6-31g(d).smash.inp (generated)

027046961.b3lyp_6-31g(d).nwchem.inp (generated) 027046961.b3lyp_6-31g(d).log.xz 027046961.mol 027046961.PUBCHEM 027046961.mol (via Jmol)
027047043.b3lyp_6-31g(d).inp

027047043.b3lyp_6-31g(d).qchem.inp (generated)

027047043.b3lyp_6-31g(d).gjf (generated)

027047043.b3lyp_6-31g(d).firefly.inp (generated)

027047043.b3lyp_6-31g(d).smash.inp (generated)

027047043.b3lyp_6-31g(d).nwchem.inp (generated) 027047043.b3lyp_6-31g(d).log.xz 027047043.mol 027047043.PUBCHEM 027047043.mol (via Jmol)
027047044.b3lyp_6-31g(d).inp

027047044.b3lyp_6-31g(d).qchem.inp (generated)

027047044.b3lyp_6-31g(d).gjf (generated)

027047044.b3lyp_6-31g(d).firefly.inp (generated)

027047044.b3lyp_6-31g(d).smash.inp (generated)

027047044.b3lyp_6-31g(d).nwchem.inp (generated) 027047044.b3lyp_6-31g(d).log.xz 027047044.mol 027047044.PUBCHEM 027047044.mol (via Jmol)
027047088.b3lyp_6-31g(d).inp

027047088.b3lyp_6-31g(d).qchem.inp (generated)

027047088.b3lyp_6-31g(d).gjf (generated)

027047088.b3lyp_6-31g(d).firefly.inp (generated)

027047088.b3lyp_6-31g(d).smash.inp (generated)

027047088.b3lyp_6-31g(d).nwchem.inp (generated) 027047088.b3lyp_6-31g(d).log.xz 027047088.td-b3lyp_6-31g+(d).inp 027047088.td-b3lyp_6-31g+(d).log.xz

027047088.td-b3lyp_6-31+g(d).qchem.inp (generated)

027047088.td-b3lyp_6-31+g(d).gjf (generated)

027047088.td-b3lyp_6-31+g(d).firefly.inp (generated)

027047088.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027047088.mol 027047088.PUBCHEM 027047088.mol (via Jmol)
027047225.b3lyp_6-31g(d).inp

027047225.b3lyp_6-31g(d).qchem.inp (generated)

027047225.b3lyp_6-31g(d).gjf (generated)

027047225.b3lyp_6-31g(d).firefly.inp (generated)

027047225.b3lyp_6-31g(d).smash.inp (generated)

027047225.b3lyp_6-31g(d).nwchem.inp (generated) 027047225.b3lyp_6-31g(d).log.xz 027047225.td-b3lyp_6-31g+(d).inp 027047225.td-b3lyp_6-31g+(d).log.xz

027047225.td-b3lyp_6-31+g(d).qchem.inp (generated)

027047225.td-b3lyp_6-31+g(d).gjf (generated)

027047225.td-b3lyp_6-31+g(d).firefly.inp (generated)

027047225.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027047225.mol 027047225.PUBCHEM 027047225.mol (via Jmol)
027047226.b3lyp_6-31g(d).inp

027047226.b3lyp_6-31g(d).qchem.inp (generated)

027047226.b3lyp_6-31g(d).gjf (generated)

027047226.b3lyp_6-31g(d).firefly.inp (generated)

027047226.b3lyp_6-31g(d).smash.inp (generated)

027047226.b3lyp_6-31g(d).nwchem.inp (generated) 027047226.b3lyp_6-31g(d).log.xz 027047226.td-b3lyp_6-31g+(d).inp 027047226.td-b3lyp_6-31g+(d).log.xz

027047226.td-b3lyp_6-31+g(d).qchem.inp (generated)

027047226.td-b3lyp_6-31+g(d).gjf (generated)

027047226.td-b3lyp_6-31+g(d).firefly.inp (generated)

027047226.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027047226.mol 027047226.PUBCHEM 027047226.mol (via Jmol)
027047236.b3lyp_6-31g(d).inp

027047236.b3lyp_6-31g(d).qchem.inp (generated)

027047236.b3lyp_6-31g(d).gjf (generated)

027047236.b3lyp_6-31g(d).firefly.inp (generated)

027047236.b3lyp_6-31g(d).smash.inp (generated)

027047236.b3lyp_6-31g(d).nwchem.inp (generated) 027047236.b3lyp_6-31g(d).log.xz 027047236.td-b3lyp_6-31g+(d).inp 027047236.td-b3lyp_6-31g+(d).log.xz

027047236.td-b3lyp_6-31+g(d).qchem.inp (generated)

027047236.td-b3lyp_6-31+g(d).gjf (generated)

027047236.td-b3lyp_6-31+g(d).firefly.inp (generated)

027047236.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027047236.mol 027047236.PUBCHEM 027047236.mol (via Jmol)
027047237.b3lyp_6-31g(d).inp

027047237.b3lyp_6-31g(d).qchem.inp (generated)

027047237.b3lyp_6-31g(d).gjf (generated)

027047237.b3lyp_6-31g(d).firefly.inp (generated)

027047237.b3lyp_6-31g(d).smash.inp (generated)

027047237.b3lyp_6-31g(d).nwchem.inp (generated) 027047237.b3lyp_6-31g(d).log.xz 027047237.td-b3lyp_6-31g+(d).inp 027047237.td-b3lyp_6-31g+(d).log.xz

027047237.td-b3lyp_6-31+g(d).qchem.inp (generated)

027047237.td-b3lyp_6-31+g(d).gjf (generated)

027047237.td-b3lyp_6-31+g(d).firefly.inp (generated)

027047237.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027047237.mol 027047237.PUBCHEM 027047237.mol (via Jmol)
027047271.b3lyp_6-31g(d).inp

027047271.b3lyp_6-31g(d).qchem.inp (generated)

027047271.b3lyp_6-31g(d).gjf (generated)

027047271.b3lyp_6-31g(d).firefly.inp (generated)

027047271.b3lyp_6-31g(d).smash.inp (generated)

027047271.b3lyp_6-31g(d).nwchem.inp (generated) 027047271.b3lyp_6-31g(d).log.xz 027047271.td-b3lyp_6-31g+(d).inp 027047271.td-b3lyp_6-31g+(d).log.xz

027047271.td-b3lyp_6-31+g(d).qchem.inp (generated)

027047271.td-b3lyp_6-31+g(d).gjf (generated)

027047271.td-b3lyp_6-31+g(d).firefly.inp (generated)

027047271.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027047271.mol 027047271.PUBCHEM 027047271.mol (via Jmol)
027047483.b3lyp_6-31g(d).inp

027047483.b3lyp_6-31g(d).qchem.inp (generated)

027047483.b3lyp_6-31g(d).gjf (generated)

027047483.b3lyp_6-31g(d).firefly.inp (generated)

027047483.b3lyp_6-31g(d).smash.inp (generated)

027047483.b3lyp_6-31g(d).nwchem.inp (generated) 027047483.b3lyp_6-31g(d).log.xz 027047483.td-b3lyp_6-31g+(d).inp 027047483.td-b3lyp_6-31g+(d).log.xz

027047483.td-b3lyp_6-31+g(d).qchem.inp (generated)

027047483.td-b3lyp_6-31+g(d).gjf (generated)

027047483.td-b3lyp_6-31+g(d).firefly.inp (generated)

027047483.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027047483.mol 027047483.PUBCHEM 027047483.mol (via Jmol)
027047734.b3lyp_6-31g(d).inp

027047734.b3lyp_6-31g(d).qchem.inp (generated)

027047734.b3lyp_6-31g(d).gjf (generated)

027047734.b3lyp_6-31g(d).firefly.inp (generated)

027047734.b3lyp_6-31g(d).smash.inp (generated)

027047734.b3lyp_6-31g(d).nwchem.inp (generated) 027047734.b3lyp_6-31g(d).log.xz 027047734.td-b3lyp_6-31g+(d).inp 027047734.td-b3lyp_6-31g+(d).log.xz

027047734.td-b3lyp_6-31+g(d).qchem.inp (generated)

027047734.td-b3lyp_6-31+g(d).gjf (generated)

027047734.td-b3lyp_6-31+g(d).firefly.inp (generated)

027047734.td-b3lyp_6-31+g(d).nwchem.inp (generated) 027047734.mol 027047734.PUBCHEM 027047734.mol (via Jmol)


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