Index of

Last updated : Thu May 18 02:15:23 JST 2017
Total : 63 (48) in this page
017633731.b3lyp_6-31g(d).inp

017633731.b3lyp_6-31g(d).qchem.inp (generated)

017633731.b3lyp_6-31g(d).gjf (generated)

017633731.b3lyp_6-31g(d).firefly.inp (generated)

017633731.b3lyp_6-31g(d).smash.inp (generated)

017633731.b3lyp_6-31g(d).nwchem.inp (generated) 017633731.b3lyp_6-31g(d).log.xz 017633731.td-b3lyp_6-31g+(d).inp 017633731.td-b3lyp_6-31g+(d).log.xz

017633731.td-b3lyp_6-31+g(d).qchem.inp (generated)

017633731.td-b3lyp_6-31+g(d).gjf (generated)

017633731.td-b3lyp_6-31+g(d).firefly.inp (generated)

017633731.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017633731.mol 017633731.PUBCHEM 017633731.mol (via Jmol)
017634254.b3lyp_6-31g(d).inp

017634254.b3lyp_6-31g(d).qchem.inp (generated)

017634254.b3lyp_6-31g(d).gjf (generated)

017634254.b3lyp_6-31g(d).firefly.inp (generated)

017634254.b3lyp_6-31g(d).smash.inp (generated)

017634254.b3lyp_6-31g(d).nwchem.inp (generated) 017634254.b3lyp_6-31g(d).log.xz 017634254.td-b3lyp_6-31g+(d).inp 017634254.td-b3lyp_6-31g+(d).log.xz

017634254.td-b3lyp_6-31+g(d).qchem.inp (generated)

017634254.td-b3lyp_6-31+g(d).gjf (generated)

017634254.td-b3lyp_6-31+g(d).firefly.inp (generated)

017634254.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017634254.mol 017634254.PUBCHEM 017634254.mol (via Jmol)
017634289.b3lyp_6-31g(d).inp

017634289.b3lyp_6-31g(d).qchem.inp (generated)

017634289.b3lyp_6-31g(d).gjf (generated)

017634289.b3lyp_6-31g(d).firefly.inp (generated)

017634289.b3lyp_6-31g(d).smash.inp (generated)

017634289.b3lyp_6-31g(d).nwchem.inp (generated) 017634289.b3lyp_6-31g(d).log.xz 017634289.td-b3lyp_6-31g+(d).inp 017634289.td-b3lyp_6-31g+(d).log.xz

017634289.td-b3lyp_6-31+g(d).qchem.inp (generated)

017634289.td-b3lyp_6-31+g(d).gjf (generated)

017634289.td-b3lyp_6-31+g(d).firefly.inp (generated)

017634289.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017634289.mol 017634289.PUBCHEM 017634289.mol (via Jmol)
017634296.b3lyp_6-31g(d).inp

017634296.b3lyp_6-31g(d).qchem.inp (generated)

017634296.b3lyp_6-31g(d).gjf (generated)

017634296.b3lyp_6-31g(d).firefly.inp (generated)

017634296.b3lyp_6-31g(d).smash.inp (generated)

017634296.b3lyp_6-31g(d).nwchem.inp (generated) 017634296.b3lyp_6-31g(d).log.xz 017634296.td-b3lyp_6-31g+(d).inp 017634296.td-b3lyp_6-31g+(d).log.xz

017634296.td-b3lyp_6-31+g(d).qchem.inp (generated)

017634296.td-b3lyp_6-31+g(d).gjf (generated)

017634296.td-b3lyp_6-31+g(d).firefly.inp (generated)

017634296.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017634296.mol 017634296.PUBCHEM 017634296.mol (via Jmol)
017634301.b3lyp_6-31g(d).inp

017634301.b3lyp_6-31g(d).qchem.inp (generated)

017634301.b3lyp_6-31g(d).gjf (generated)

017634301.b3lyp_6-31g(d).firefly.inp (generated)

017634301.b3lyp_6-31g(d).smash.inp (generated)

017634301.b3lyp_6-31g(d).nwchem.inp (generated) 017634301.b3lyp_6-31g(d).log.xz 017634301.td-b3lyp_6-31g+(d).inp 017634301.td-b3lyp_6-31g+(d).log.xz

017634301.td-b3lyp_6-31+g(d).qchem.inp (generated)

017634301.td-b3lyp_6-31+g(d).gjf (generated)

017634301.td-b3lyp_6-31+g(d).firefly.inp (generated)

017634301.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017634301.mol 017634301.PUBCHEM 017634301.mol (via Jmol)
017634508.b3lyp_6-31g(d).inp

017634508.b3lyp_6-31g(d).qchem.inp (generated)

017634508.b3lyp_6-31g(d).gjf (generated)

017634508.b3lyp_6-31g(d).firefly.inp (generated)

017634508.b3lyp_6-31g(d).smash.inp (generated)

017634508.b3lyp_6-31g(d).nwchem.inp (generated) 017634508.b3lyp_6-31g(d).log.xz 017634508.td-b3lyp_6-31g+(d).inp 017634508.td-b3lyp_6-31g+(d).log.xz

017634508.td-b3lyp_6-31+g(d).qchem.inp (generated)

017634508.td-b3lyp_6-31+g(d).gjf (generated)

017634508.td-b3lyp_6-31+g(d).firefly.inp (generated)

017634508.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017634508.mol 017634508.PUBCHEM 017634508.mol (via Jmol)
017634853.b3lyp_6-31g(d).inp

017634853.b3lyp_6-31g(d).qchem.inp (generated)

017634853.b3lyp_6-31g(d).gjf (generated)

017634853.b3lyp_6-31g(d).firefly.inp (generated)

017634853.b3lyp_6-31g(d).smash.inp (generated)

017634853.b3lyp_6-31g(d).nwchem.inp (generated) 017634853.b3lyp_6-31g(d).log.xz 017634853.td-b3lyp_6-31g+(d).inp 017634853.td-b3lyp_6-31g+(d).log.xz

017634853.td-b3lyp_6-31+g(d).qchem.inp (generated)

017634853.td-b3lyp_6-31+g(d).gjf (generated)

017634853.td-b3lyp_6-31+g(d).firefly.inp (generated)

017634853.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017634853.mol 017634853.PUBCHEM 017634853.mol (via Jmol)
017634927.b3lyp_6-31g(d).inp

017634927.b3lyp_6-31g(d).qchem.inp (generated)

017634927.b3lyp_6-31g(d).gjf (generated)

017634927.b3lyp_6-31g(d).firefly.inp (generated)

017634927.b3lyp_6-31g(d).smash.inp (generated)

017634927.b3lyp_6-31g(d).nwchem.inp (generated) 017634927.b3lyp_6-31g(d).log.xz 017634927.td-b3lyp_6-31g+(d).inp 017634927.td-b3lyp_6-31g+(d).log.xz

017634927.td-b3lyp_6-31+g(d).qchem.inp (generated)

017634927.td-b3lyp_6-31+g(d).gjf (generated)

017634927.td-b3lyp_6-31+g(d).firefly.inp (generated)

017634927.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017634927.mol 017634927.PUBCHEM 017634927.mol (via Jmol)
017635069.b3lyp_6-31g(d).inp

017635069.b3lyp_6-31g(d).qchem.inp (generated)

017635069.b3lyp_6-31g(d).gjf (generated)

017635069.b3lyp_6-31g(d).firefly.inp (generated)

017635069.b3lyp_6-31g(d).smash.inp (generated)

017635069.b3lyp_6-31g(d).nwchem.inp (generated) 017635069.b3lyp_6-31g(d).log.xz 017635069.td-b3lyp_6-31g+(d).inp 017635069.td-b3lyp_6-31g+(d).log.xz

017635069.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635069.td-b3lyp_6-31+g(d).gjf (generated)

017635069.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635069.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635069.mol 017635069.PUBCHEM 017635069.mol (via Jmol)
017635071.b3lyp_6-31g(d).inp

017635071.b3lyp_6-31g(d).qchem.inp (generated)

017635071.b3lyp_6-31g(d).gjf (generated)

017635071.b3lyp_6-31g(d).firefly.inp (generated)

017635071.b3lyp_6-31g(d).smash.inp (generated)

017635071.b3lyp_6-31g(d).nwchem.inp (generated) 017635071.b3lyp_6-31g(d).log.xz 017635071.td-b3lyp_6-31g+(d).inp 017635071.td-b3lyp_6-31g+(d).log.xz

017635071.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635071.td-b3lyp_6-31+g(d).gjf (generated)

017635071.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635071.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635071.mol 017635071.PUBCHEM 017635071.mol (via Jmol)
017635144.b3lyp_6-31g(d).inp

017635144.b3lyp_6-31g(d).qchem.inp (generated)

017635144.b3lyp_6-31g(d).gjf (generated)

017635144.b3lyp_6-31g(d).firefly.inp (generated)

017635144.b3lyp_6-31g(d).smash.inp (generated)

017635144.b3lyp_6-31g(d).nwchem.inp (generated) 017635144.b3lyp_6-31g(d).log.xz 017635144.td-b3lyp_6-31g+(d).inp 017635144.td-b3lyp_6-31g+(d).log.xz

017635144.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635144.td-b3lyp_6-31+g(d).gjf (generated)

017635144.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635144.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635144.mol 017635144.PUBCHEM 017635144.mol (via Jmol)
017635145.b3lyp_6-31g(d).inp

017635145.b3lyp_6-31g(d).qchem.inp (generated)

017635145.b3lyp_6-31g(d).gjf (generated)

017635145.b3lyp_6-31g(d).firefly.inp (generated)

017635145.b3lyp_6-31g(d).smash.inp (generated)

017635145.b3lyp_6-31g(d).nwchem.inp (generated) 017635145.b3lyp_6-31g(d).log.xz 017635145.td-b3lyp_6-31g+(d).inp 017635145.td-b3lyp_6-31g+(d).log.xz

017635145.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635145.td-b3lyp_6-31+g(d).gjf (generated)

017635145.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635145.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635145.mol 017635145.PUBCHEM 017635145.mol (via Jmol)
017635146.b3lyp_6-31g(d).inp

017635146.b3lyp_6-31g(d).qchem.inp (generated)

017635146.b3lyp_6-31g(d).gjf (generated)

017635146.b3lyp_6-31g(d).firefly.inp (generated)

017635146.b3lyp_6-31g(d).smash.inp (generated)

017635146.b3lyp_6-31g(d).nwchem.inp (generated) 017635146.b3lyp_6-31g(d).log.xz 017635146.td-b3lyp_6-31g+(d).inp 017635146.td-b3lyp_6-31g+(d).log.xz

017635146.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635146.td-b3lyp_6-31+g(d).gjf (generated)

017635146.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635146.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635146.mol 017635146.PUBCHEM 017635146.mol (via Jmol)
017635147.b3lyp_6-31g(d).inp

017635147.b3lyp_6-31g(d).qchem.inp (generated)

017635147.b3lyp_6-31g(d).gjf (generated)

017635147.b3lyp_6-31g(d).firefly.inp (generated)

017635147.b3lyp_6-31g(d).smash.inp (generated)

017635147.b3lyp_6-31g(d).nwchem.inp (generated) 017635147.b3lyp_6-31g(d).log.xz 017635147.mol 017635147.PUBCHEM 017635147.mol (via Jmol)
017635148.b3lyp_6-31g(d).inp

017635148.b3lyp_6-31g(d).qchem.inp (generated)

017635148.b3lyp_6-31g(d).gjf (generated)

017635148.b3lyp_6-31g(d).firefly.inp (generated)

017635148.b3lyp_6-31g(d).smash.inp (generated)

017635148.b3lyp_6-31g(d).nwchem.inp (generated) 017635148.b3lyp_6-31g(d).log.xz 017635148.mol 017635148.PUBCHEM 017635148.mol (via Jmol)
017635149.b3lyp_6-31g(d).inp

017635149.b3lyp_6-31g(d).qchem.inp (generated)

017635149.b3lyp_6-31g(d).gjf (generated)

017635149.b3lyp_6-31g(d).firefly.inp (generated)

017635149.b3lyp_6-31g(d).smash.inp (generated)

017635149.b3lyp_6-31g(d).nwchem.inp (generated) 017635149.b3lyp_6-31g(d).log.xz 017635149.td-b3lyp_6-31g+(d).inp 017635149.td-b3lyp_6-31g+(d).log.xz

017635149.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635149.td-b3lyp_6-31+g(d).gjf (generated)

017635149.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635149.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635149.mol 017635149.PUBCHEM 017635149.mol (via Jmol)
017635150.b3lyp_6-31g(d).inp

017635150.b3lyp_6-31g(d).qchem.inp (generated)

017635150.b3lyp_6-31g(d).gjf (generated)

017635150.b3lyp_6-31g(d).firefly.inp (generated)

017635150.b3lyp_6-31g(d).smash.inp (generated)

017635150.b3lyp_6-31g(d).nwchem.inp (generated) 017635150.b3lyp_6-31g(d).log.xz 017635150.td-b3lyp_6-31g+(d).inp 017635150.td-b3lyp_6-31g+(d).log.xz

017635150.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635150.td-b3lyp_6-31+g(d).gjf (generated)

017635150.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635150.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635150.mol 017635150.PUBCHEM 017635150.mol (via Jmol)
017635151.b3lyp_6-31g(d).inp

017635151.b3lyp_6-31g(d).qchem.inp (generated)

017635151.b3lyp_6-31g(d).gjf (generated)

017635151.b3lyp_6-31g(d).firefly.inp (generated)

017635151.b3lyp_6-31g(d).smash.inp (generated)

017635151.b3lyp_6-31g(d).nwchem.inp (generated) 017635151.b3lyp_6-31g(d).log.xz 017635151.td-b3lyp_6-31g+(d).inp 017635151.td-b3lyp_6-31g+(d).log.xz

017635151.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635151.td-b3lyp_6-31+g(d).gjf (generated)

017635151.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635151.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635151.mol 017635151.PUBCHEM 017635151.mol (via Jmol)
017635152.b3lyp_6-31g(d).inp

017635152.b3lyp_6-31g(d).qchem.inp (generated)

017635152.b3lyp_6-31g(d).gjf (generated)

017635152.b3lyp_6-31g(d).firefly.inp (generated)

017635152.b3lyp_6-31g(d).smash.inp (generated)

017635152.b3lyp_6-31g(d).nwchem.inp (generated) 017635152.b3lyp_6-31g(d).log.xz 017635152.td-b3lyp_6-31g+(d).inp 017635152.td-b3lyp_6-31g+(d).log.xz

017635152.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635152.td-b3lyp_6-31+g(d).gjf (generated)

017635152.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635152.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635152.mol 017635152.PUBCHEM 017635152.mol (via Jmol)
017635153.b3lyp_6-31g(d).inp

017635153.b3lyp_6-31g(d).qchem.inp (generated)

017635153.b3lyp_6-31g(d).gjf (generated)

017635153.b3lyp_6-31g(d).firefly.inp (generated)

017635153.b3lyp_6-31g(d).smash.inp (generated)

017635153.b3lyp_6-31g(d).nwchem.inp (generated) 017635153.b3lyp_6-31g(d).log.xz 017635153.mol 017635153.PUBCHEM 017635153.mol (via Jmol)
017635154.b3lyp_6-31g(d).inp

017635154.b3lyp_6-31g(d).qchem.inp (generated)

017635154.b3lyp_6-31g(d).gjf (generated)

017635154.b3lyp_6-31g(d).firefly.inp (generated)

017635154.b3lyp_6-31g(d).smash.inp (generated)

017635154.b3lyp_6-31g(d).nwchem.inp (generated) 017635154.b3lyp_6-31g(d).log.xz 017635154.mol 017635154.PUBCHEM 017635154.mol (via Jmol)
017635157.b3lyp_6-31g(d).inp

017635157.b3lyp_6-31g(d).qchem.inp (generated)

017635157.b3lyp_6-31g(d).gjf (generated)

017635157.b3lyp_6-31g(d).firefly.inp (generated)

017635157.b3lyp_6-31g(d).smash.inp (generated)

017635157.b3lyp_6-31g(d).nwchem.inp (generated) 017635157.b3lyp_6-31g(d).log.xz 017635157.td-b3lyp_6-31g+(d).inp 017635157.td-b3lyp_6-31g+(d).log.xz

017635157.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635157.td-b3lyp_6-31+g(d).gjf (generated)

017635157.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635157.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635157.mol 017635157.PUBCHEM 017635157.mol (via Jmol)
017635213.b3lyp_6-31g(d).inp

017635213.b3lyp_6-31g(d).qchem.inp (generated)

017635213.b3lyp_6-31g(d).gjf (generated)

017635213.b3lyp_6-31g(d).firefly.inp (generated)

017635213.b3lyp_6-31g(d).smash.inp (generated)

017635213.b3lyp_6-31g(d).nwchem.inp (generated) 017635213.b3lyp_6-31g(d).log.xz 017635213.td-b3lyp_6-31g+(d).inp 017635213.td-b3lyp_6-31g+(d).log.xz

017635213.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635213.td-b3lyp_6-31+g(d).gjf (generated)

017635213.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635213.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635213.mol 017635213.PUBCHEM 017635213.mol (via Jmol)
017635216.b3lyp_6-31g(d).inp

017635216.b3lyp_6-31g(d).qchem.inp (generated)

017635216.b3lyp_6-31g(d).gjf (generated)

017635216.b3lyp_6-31g(d).firefly.inp (generated)

017635216.b3lyp_6-31g(d).smash.inp (generated)

017635216.b3lyp_6-31g(d).nwchem.inp (generated) 017635216.b3lyp_6-31g(d).log.xz 017635216.td-b3lyp_6-31g+(d).inp 017635216.td-b3lyp_6-31g+(d).log.xz

017635216.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635216.td-b3lyp_6-31+g(d).gjf (generated)

017635216.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635216.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635216.mol 017635216.PUBCHEM 017635216.mol (via Jmol)
017635245.b3lyp_6-31g(d).inp

017635245.b3lyp_6-31g(d).qchem.inp (generated)

017635245.b3lyp_6-31g(d).gjf (generated)

017635245.b3lyp_6-31g(d).firefly.inp (generated)

017635245.b3lyp_6-31g(d).smash.inp (generated)

017635245.b3lyp_6-31g(d).nwchem.inp (generated) 017635245.b3lyp_6-31g(d).log.xz 017635245.td-b3lyp_6-31g+(d).inp 017635245.td-b3lyp_6-31g+(d).log.xz

017635245.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635245.td-b3lyp_6-31+g(d).gjf (generated)

017635245.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635245.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635245.mol 017635245.PUBCHEM 017635245.mol (via Jmol)
017635246.b3lyp_6-31g(d).inp

017635246.b3lyp_6-31g(d).qchem.inp (generated)

017635246.b3lyp_6-31g(d).gjf (generated)

017635246.b3lyp_6-31g(d).firefly.inp (generated)

017635246.b3lyp_6-31g(d).smash.inp (generated)

017635246.b3lyp_6-31g(d).nwchem.inp (generated) 017635246.b3lyp_6-31g(d).log.xz 017635246.td-b3lyp_6-31g+(d).inp 017635246.td-b3lyp_6-31g+(d).log.xz

017635246.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635246.td-b3lyp_6-31+g(d).gjf (generated)

017635246.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635246.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635246.mol 017635246.PUBCHEM 017635246.mol (via Jmol)
017635247.b3lyp_6-31g(d).inp

017635247.b3lyp_6-31g(d).qchem.inp (generated)

017635247.b3lyp_6-31g(d).gjf (generated)

017635247.b3lyp_6-31g(d).firefly.inp (generated)

017635247.b3lyp_6-31g(d).smash.inp (generated)

017635247.b3lyp_6-31g(d).nwchem.inp (generated) 017635247.b3lyp_6-31g(d).log.xz 017635247.td-b3lyp_6-31g+(d).inp 017635247.td-b3lyp_6-31g+(d).log.xz

017635247.td-b3lyp_6-31+g(d).qchem.inp (generated)

017635247.td-b3lyp_6-31+g(d).gjf (generated)

017635247.td-b3lyp_6-31+g(d).firefly.inp (generated)

017635247.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017635247.mol 017635247.PUBCHEM 017635247.mol (via Jmol)
017636817.b3lyp_6-31g(d).inp

017636817.b3lyp_6-31g(d).qchem.inp (generated)

017636817.b3lyp_6-31g(d).gjf (generated)

017636817.b3lyp_6-31g(d).firefly.inp (generated)

017636817.b3lyp_6-31g(d).smash.inp (generated)

017636817.b3lyp_6-31g(d).nwchem.inp (generated) 017636817.b3lyp_6-31g(d).log.xz 017636817.mol 017636817.PUBCHEM 017636817.mol (via Jmol)
017636818.b3lyp_6-31g(d).inp

017636818.b3lyp_6-31g(d).qchem.inp (generated)

017636818.b3lyp_6-31g(d).gjf (generated)

017636818.b3lyp_6-31g(d).firefly.inp (generated)

017636818.b3lyp_6-31g(d).smash.inp (generated)

017636818.b3lyp_6-31g(d).nwchem.inp (generated) 017636818.b3lyp_6-31g(d).log.xz 017636818.td-b3lyp_6-31g+(d).inp 017636818.td-b3lyp_6-31g+(d).log.xz

017636818.td-b3lyp_6-31+g(d).qchem.inp (generated)

017636818.td-b3lyp_6-31+g(d).gjf (generated)

017636818.td-b3lyp_6-31+g(d).firefly.inp (generated)

017636818.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017636818.mol 017636818.PUBCHEM 017636818.mol (via Jmol)
017636826.b3lyp_6-31g(d).inp

017636826.b3lyp_6-31g(d).qchem.inp (generated)

017636826.b3lyp_6-31g(d).gjf (generated)

017636826.b3lyp_6-31g(d).firefly.inp (generated)

017636826.b3lyp_6-31g(d).smash.inp (generated)

017636826.b3lyp_6-31g(d).nwchem.inp (generated) 017636826.b3lyp_6-31g(d).log.xz 017636826.td-b3lyp_6-31g+(d).inp 017636826.td-b3lyp_6-31g+(d).log.xz

017636826.td-b3lyp_6-31+g(d).qchem.inp (generated)

017636826.td-b3lyp_6-31+g(d).gjf (generated)

017636826.td-b3lyp_6-31+g(d).firefly.inp (generated)

017636826.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017636826.mol 017636826.PUBCHEM 017636826.mol (via Jmol)
017638217.b3lyp_6-31g(d).inp

017638217.b3lyp_6-31g(d).qchem.inp (generated)

017638217.b3lyp_6-31g(d).gjf (generated)

017638217.b3lyp_6-31g(d).firefly.inp (generated)

017638217.b3lyp_6-31g(d).smash.inp (generated)

017638217.b3lyp_6-31g(d).nwchem.inp (generated) 017638217.b3lyp_6-31g(d).log.xz 017638217.td-b3lyp_6-31g+(d).inp 017638217.td-b3lyp_6-31g+(d).log.xz

017638217.td-b3lyp_6-31+g(d).qchem.inp (generated)

017638217.td-b3lyp_6-31+g(d).gjf (generated)

017638217.td-b3lyp_6-31+g(d).firefly.inp (generated)

017638217.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017638217.mol 017638217.PUBCHEM 017638217.mol (via Jmol)
017638764.b3lyp_6-31g(d).inp

017638764.b3lyp_6-31g(d).qchem.inp (generated)

017638764.b3lyp_6-31g(d).gjf (generated)

017638764.b3lyp_6-31g(d).firefly.inp (generated)

017638764.b3lyp_6-31g(d).smash.inp (generated)

017638764.b3lyp_6-31g(d).nwchem.inp (generated) 017638764.b3lyp_6-31g(d).log.xz 017638764.mol 017638764.PUBCHEM 017638764.mol (via Jmol)
017639066.b3lyp_6-31g(d).inp

017639066.b3lyp_6-31g(d).qchem.inp (generated)

017639066.b3lyp_6-31g(d).gjf (generated)

017639066.b3lyp_6-31g(d).firefly.inp (generated)

017639066.b3lyp_6-31g(d).smash.inp (generated)

017639066.b3lyp_6-31g(d).nwchem.inp (generated) 017639066.b3lyp_6-31g(d).log.xz 017639066.td-b3lyp_6-31g+(d).inp 017639066.td-b3lyp_6-31g+(d).log.xz

017639066.td-b3lyp_6-31+g(d).qchem.inp (generated)

017639066.td-b3lyp_6-31+g(d).gjf (generated)

017639066.td-b3lyp_6-31+g(d).firefly.inp (generated)

017639066.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017639066.mol 017639066.PUBCHEM 017639066.mol (via Jmol)
017639898.b3lyp_6-31g(d).inp

017639898.b3lyp_6-31g(d).qchem.inp (generated)

017639898.b3lyp_6-31g(d).gjf (generated)

017639898.b3lyp_6-31g(d).firefly.inp (generated)

017639898.b3lyp_6-31g(d).smash.inp (generated)

017639898.b3lyp_6-31g(d).nwchem.inp (generated) 017639898.b3lyp_6-31g(d).log.xz 017639898.td-b3lyp_6-31g+(d).inp 017639898.td-b3lyp_6-31g+(d).log.xz

017639898.td-b3lyp_6-31+g(d).qchem.inp (generated)

017639898.td-b3lyp_6-31+g(d).gjf (generated)

017639898.td-b3lyp_6-31+g(d).firefly.inp (generated)

017639898.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017639898.mol 017639898.PUBCHEM 017639898.mol (via Jmol)
017639971.b3lyp_6-31g(d).inp

017639971.b3lyp_6-31g(d).qchem.inp (generated)

017639971.b3lyp_6-31g(d).gjf (generated)

017639971.b3lyp_6-31g(d).firefly.inp (generated)

017639971.b3lyp_6-31g(d).smash.inp (generated)

017639971.b3lyp_6-31g(d).nwchem.inp (generated) 017639971.b3lyp_6-31g(d).log.xz 017639971.td-b3lyp_6-31g+(d).inp 017639971.td-b3lyp_6-31g+(d).log.xz

017639971.td-b3lyp_6-31+g(d).qchem.inp (generated)

017639971.td-b3lyp_6-31+g(d).gjf (generated)

017639971.td-b3lyp_6-31+g(d).firefly.inp (generated)

017639971.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017639971.mol 017639971.PUBCHEM 017639971.mol (via Jmol)
017640277.b3lyp_6-31g(d).inp

017640277.b3lyp_6-31g(d).qchem.inp (generated)

017640277.b3lyp_6-31g(d).gjf (generated)

017640277.b3lyp_6-31g(d).firefly.inp (generated)

017640277.b3lyp_6-31g(d).smash.inp (generated)

017640277.b3lyp_6-31g(d).nwchem.inp (generated) 017640277.b3lyp_6-31g(d).log.xz 017640277.td-b3lyp_6-31g+(d).inp 017640277.td-b3lyp_6-31g+(d).log.xz

017640277.td-b3lyp_6-31+g(d).qchem.inp (generated)

017640277.td-b3lyp_6-31+g(d).gjf (generated)

017640277.td-b3lyp_6-31+g(d).firefly.inp (generated)

017640277.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017640277.mol 017640277.PUBCHEM 017640277.mol (via Jmol)
017640846.b3lyp_6-31g(d).inp

017640846.b3lyp_6-31g(d).qchem.inp (generated)

017640846.b3lyp_6-31g(d).gjf (generated)

017640846.b3lyp_6-31g(d).firefly.inp (generated)

017640846.b3lyp_6-31g(d).smash.inp (generated)

017640846.b3lyp_6-31g(d).nwchem.inp (generated) 017640846.b3lyp_6-31g(d).log.xz 017640846.mol 017640846.PUBCHEM 017640846.mol (via Jmol)
017641739.b3lyp_6-31g(d).inp

017641739.b3lyp_6-31g(d).qchem.inp (generated)

017641739.b3lyp_6-31g(d).gjf (generated)

017641739.b3lyp_6-31g(d).firefly.inp (generated)

017641739.b3lyp_6-31g(d).smash.inp (generated)

017641739.b3lyp_6-31g(d).nwchem.inp (generated) 017641739.b3lyp_6-31g(d).log.xz 017641739.td-b3lyp_6-31g+(d).inp 017641739.td-b3lyp_6-31g+(d).log.xz

017641739.td-b3lyp_6-31+g(d).qchem.inp (generated)

017641739.td-b3lyp_6-31+g(d).gjf (generated)

017641739.td-b3lyp_6-31+g(d).firefly.inp (generated)

017641739.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017641739.mol 017641739.PUBCHEM 017641739.mol (via Jmol)
017641836.b3lyp_6-31g(d).inp

017641836.b3lyp_6-31g(d).qchem.inp (generated)

017641836.b3lyp_6-31g(d).gjf (generated)

017641836.b3lyp_6-31g(d).firefly.inp (generated)

017641836.b3lyp_6-31g(d).smash.inp (generated)

017641836.b3lyp_6-31g(d).nwchem.inp (generated) 017641836.b3lyp_6-31g(d).log.xz 017641836.td-b3lyp_6-31g+(d).inp 017641836.td-b3lyp_6-31g+(d).log.xz

017641836.td-b3lyp_6-31+g(d).qchem.inp (generated)

017641836.td-b3lyp_6-31+g(d).gjf (generated)

017641836.td-b3lyp_6-31+g(d).firefly.inp (generated)

017641836.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017641836.mol 017641836.PUBCHEM 017641836.mol (via Jmol)
017642073.b3lyp_6-31g(d).inp

017642073.b3lyp_6-31g(d).qchem.inp (generated)

017642073.b3lyp_6-31g(d).gjf (generated)

017642073.b3lyp_6-31g(d).firefly.inp (generated)

017642073.b3lyp_6-31g(d).smash.inp (generated)

017642073.b3lyp_6-31g(d).nwchem.inp (generated) 017642073.b3lyp_6-31g(d).log.xz 017642073.td-b3lyp_6-31g+(d).inp 017642073.td-b3lyp_6-31g+(d).log.xz

017642073.td-b3lyp_6-31+g(d).qchem.inp (generated)

017642073.td-b3lyp_6-31+g(d).gjf (generated)

017642073.td-b3lyp_6-31+g(d).firefly.inp (generated)

017642073.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017642073.mol 017642073.PUBCHEM 017642073.mol (via Jmol)
017643121.b3lyp_6-31g(d).inp

017643121.b3lyp_6-31g(d).qchem.inp (generated)

017643121.b3lyp_6-31g(d).gjf (generated)

017643121.b3lyp_6-31g(d).firefly.inp (generated)

017643121.b3lyp_6-31g(d).smash.inp (generated)

017643121.b3lyp_6-31g(d).nwchem.inp (generated) 017643121.b3lyp_6-31g(d).log.xz 017643121.mol 017643121.PUBCHEM 017643121.mol (via Jmol)
017643726.b3lyp_6-31g(d).inp

017643726.b3lyp_6-31g(d).qchem.inp (generated)

017643726.b3lyp_6-31g(d).gjf (generated)

017643726.b3lyp_6-31g(d).firefly.inp (generated)

017643726.b3lyp_6-31g(d).smash.inp (generated)

017643726.b3lyp_6-31g(d).nwchem.inp (generated) 017643726.b3lyp_6-31g(d).log.xz 017643726.td-b3lyp_6-31g+(d).inp 017643726.td-b3lyp_6-31g+(d).log.xz

017643726.td-b3lyp_6-31+g(d).qchem.inp (generated)

017643726.td-b3lyp_6-31+g(d).gjf (generated)

017643726.td-b3lyp_6-31+g(d).firefly.inp (generated)

017643726.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017643726.mol 017643726.PUBCHEM 017643726.mol (via Jmol)
017644820.b3lyp_6-31g(d).inp

017644820.b3lyp_6-31g(d).qchem.inp (generated)

017644820.b3lyp_6-31g(d).gjf (generated)

017644820.b3lyp_6-31g(d).firefly.inp (generated)

017644820.b3lyp_6-31g(d).smash.inp (generated)

017644820.b3lyp_6-31g(d).nwchem.inp (generated) 017644820.b3lyp_6-31g(d).log.xz 017644820.td-b3lyp_6-31g+(d).inp 017644820.td-b3lyp_6-31g+(d).log.xz

017644820.td-b3lyp_6-31+g(d).qchem.inp (generated)

017644820.td-b3lyp_6-31+g(d).gjf (generated)

017644820.td-b3lyp_6-31+g(d).firefly.inp (generated)

017644820.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017644820.mol 017644820.PUBCHEM 017644820.mol (via Jmol)
017645793.b3lyp_6-31g(d).inp

017645793.b3lyp_6-31g(d).qchem.inp (generated)

017645793.b3lyp_6-31g(d).gjf (generated)

017645793.b3lyp_6-31g(d).firefly.inp (generated)

017645793.b3lyp_6-31g(d).smash.inp (generated)

017645793.b3lyp_6-31g(d).nwchem.inp (generated) 017645793.b3lyp_6-31g(d).log.xz 017645793.td-b3lyp_6-31g+(d).inp 017645793.td-b3lyp_6-31g+(d).log.xz

017645793.td-b3lyp_6-31+g(d).qchem.inp (generated)

017645793.td-b3lyp_6-31+g(d).gjf (generated)

017645793.td-b3lyp_6-31+g(d).firefly.inp (generated)

017645793.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017645793.mol 017645793.PUBCHEM 017645793.mol (via Jmol)
017646087.b3lyp_6-31g(d).inp

017646087.b3lyp_6-31g(d).qchem.inp (generated)

017646087.b3lyp_6-31g(d).gjf (generated)

017646087.b3lyp_6-31g(d).firefly.inp (generated)

017646087.b3lyp_6-31g(d).smash.inp (generated)

017646087.b3lyp_6-31g(d).nwchem.inp (generated) 017646087.b3lyp_6-31g(d).log.xz 017646087.td-b3lyp_6-31g+(d).inp 017646087.td-b3lyp_6-31g+(d).log.xz

017646087.td-b3lyp_6-31+g(d).qchem.inp (generated)

017646087.td-b3lyp_6-31+g(d).gjf (generated)

017646087.td-b3lyp_6-31+g(d).firefly.inp (generated)

017646087.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017646087.mol 017646087.PUBCHEM 017646087.mol (via Jmol)
017646241.b3lyp_6-31g(d).inp

017646241.b3lyp_6-31g(d).qchem.inp (generated)

017646241.b3lyp_6-31g(d).gjf (generated)

017646241.b3lyp_6-31g(d).firefly.inp (generated)

017646241.b3lyp_6-31g(d).smash.inp (generated)

017646241.b3lyp_6-31g(d).nwchem.inp (generated) 017646241.b3lyp_6-31g(d).log.xz 017646241.td-b3lyp_6-31g+(d).inp 017646241.td-b3lyp_6-31g+(d).log.xz

017646241.td-b3lyp_6-31+g(d).qchem.inp (generated)

017646241.td-b3lyp_6-31+g(d).gjf (generated)

017646241.td-b3lyp_6-31+g(d).firefly.inp (generated)

017646241.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017646241.mol 017646241.PUBCHEM 017646241.mol (via Jmol)
017646453.b3lyp_6-31g(d).inp

017646453.b3lyp_6-31g(d).qchem.inp (generated)

017646453.b3lyp_6-31g(d).gjf (generated)

017646453.b3lyp_6-31g(d).firefly.inp (generated)

017646453.b3lyp_6-31g(d).smash.inp (generated)

017646453.b3lyp_6-31g(d).nwchem.inp (generated) 017646453.b3lyp_6-31g(d).log.xz 017646453.td-b3lyp_6-31g+(d).inp 017646453.td-b3lyp_6-31g+(d).log.xz

017646453.td-b3lyp_6-31+g(d).qchem.inp (generated)

017646453.td-b3lyp_6-31+g(d).gjf (generated)

017646453.td-b3lyp_6-31+g(d).firefly.inp (generated)

017646453.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017646453.mol 017646453.PUBCHEM 017646453.mol (via Jmol)
017646845.b3lyp_6-31g(d).inp

017646845.b3lyp_6-31g(d).qchem.inp (generated)

017646845.b3lyp_6-31g(d).gjf (generated)

017646845.b3lyp_6-31g(d).firefly.inp (generated)

017646845.b3lyp_6-31g(d).smash.inp (generated)

017646845.b3lyp_6-31g(d).nwchem.inp (generated) 017646845.b3lyp_6-31g(d).log.xz 017646845.td-b3lyp_6-31g+(d).inp 017646845.td-b3lyp_6-31g+(d).log.xz

017646845.td-b3lyp_6-31+g(d).qchem.inp (generated)

017646845.td-b3lyp_6-31+g(d).gjf (generated)

017646845.td-b3lyp_6-31+g(d).firefly.inp (generated)

017646845.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017646845.mol 017646845.PUBCHEM 017646845.mol (via Jmol)
017647203.b3lyp_6-31g(d).inp

017647203.b3lyp_6-31g(d).qchem.inp (generated)

017647203.b3lyp_6-31g(d).gjf (generated)

017647203.b3lyp_6-31g(d).firefly.inp (generated)

017647203.b3lyp_6-31g(d).smash.inp (generated)

017647203.b3lyp_6-31g(d).nwchem.inp (generated) 017647203.b3lyp_6-31g(d).log.xz 017647203.mol 017647203.PUBCHEM 017647203.mol (via Jmol)
017647267.b3lyp_6-31g(d).inp

017647267.b3lyp_6-31g(d).qchem.inp (generated)

017647267.b3lyp_6-31g(d).gjf (generated)

017647267.b3lyp_6-31g(d).firefly.inp (generated)

017647267.b3lyp_6-31g(d).smash.inp (generated)

017647267.b3lyp_6-31g(d).nwchem.inp (generated) 017647267.b3lyp_6-31g(d).log.xz 017647267.td-b3lyp_6-31g+(d).inp 017647267.td-b3lyp_6-31g+(d).log.xz

017647267.td-b3lyp_6-31+g(d).qchem.inp (generated)

017647267.td-b3lyp_6-31+g(d).gjf (generated)

017647267.td-b3lyp_6-31+g(d).firefly.inp (generated)

017647267.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017647267.mol 017647267.PUBCHEM 017647267.mol (via Jmol)
017647559.b3lyp_6-31g(d).inp

017647559.b3lyp_6-31g(d).qchem.inp (generated)

017647559.b3lyp_6-31g(d).gjf (generated)

017647559.b3lyp_6-31g(d).firefly.inp (generated)

017647559.b3lyp_6-31g(d).smash.inp (generated)

017647559.b3lyp_6-31g(d).nwchem.inp (generated) 017647559.b3lyp_6-31g(d).log.xz 017647559.td-b3lyp_6-31g+(d).inp 017647559.td-b3lyp_6-31g+(d).log.xz

017647559.td-b3lyp_6-31+g(d).qchem.inp (generated)

017647559.td-b3lyp_6-31+g(d).gjf (generated)

017647559.td-b3lyp_6-31+g(d).firefly.inp (generated)

017647559.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017647559.mol 017647559.PUBCHEM 017647559.mol (via Jmol)
017647613.b3lyp_6-31g(d).inp

017647613.b3lyp_6-31g(d).qchem.inp (generated)

017647613.b3lyp_6-31g(d).gjf (generated)

017647613.b3lyp_6-31g(d).firefly.inp (generated)

017647613.b3lyp_6-31g(d).smash.inp (generated)

017647613.b3lyp_6-31g(d).nwchem.inp (generated) 017647613.b3lyp_6-31g(d).log.xz 017647613.td-b3lyp_6-31g+(d).inp 017647613.td-b3lyp_6-31g+(d).log.xz

017647613.td-b3lyp_6-31+g(d).qchem.inp (generated)

017647613.td-b3lyp_6-31+g(d).gjf (generated)

017647613.td-b3lyp_6-31+g(d).firefly.inp (generated)

017647613.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017647613.mol 017647613.PUBCHEM 017647613.mol (via Jmol)
017647670.b3lyp_6-31g(d).inp

017647670.b3lyp_6-31g(d).qchem.inp (generated)

017647670.b3lyp_6-31g(d).gjf (generated)

017647670.b3lyp_6-31g(d).firefly.inp (generated)

017647670.b3lyp_6-31g(d).smash.inp (generated)

017647670.b3lyp_6-31g(d).nwchem.inp (generated) 017647670.b3lyp_6-31g(d).log.xz 017647670.mol 017647670.PUBCHEM 017647670.mol (via Jmol)
017647960.b3lyp_6-31g(d).inp

017647960.b3lyp_6-31g(d).qchem.inp (generated)

017647960.b3lyp_6-31g(d).gjf (generated)

017647960.b3lyp_6-31g(d).firefly.inp (generated)

017647960.b3lyp_6-31g(d).smash.inp (generated)

017647960.b3lyp_6-31g(d).nwchem.inp (generated) 017647960.b3lyp_6-31g(d).log.xz 017647960.mol 017647960.PUBCHEM 017647960.mol (via Jmol)
017648019.b3lyp_6-31g(d).inp

017648019.b3lyp_6-31g(d).qchem.inp (generated)

017648019.b3lyp_6-31g(d).gjf (generated)

017648019.b3lyp_6-31g(d).firefly.inp (generated)

017648019.b3lyp_6-31g(d).smash.inp (generated)

017648019.b3lyp_6-31g(d).nwchem.inp (generated) 017648019.b3lyp_6-31g(d).log.xz 017648019.td-b3lyp_6-31g+(d).inp 017648019.td-b3lyp_6-31g+(d).log.xz

017648019.td-b3lyp_6-31+g(d).qchem.inp (generated)

017648019.td-b3lyp_6-31+g(d).gjf (generated)

017648019.td-b3lyp_6-31+g(d).firefly.inp (generated)

017648019.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017648019.mol 017648019.PUBCHEM 017648019.mol (via Jmol)
017648330.b3lyp_6-31g(d).inp

017648330.b3lyp_6-31g(d).qchem.inp (generated)

017648330.b3lyp_6-31g(d).gjf (generated)

017648330.b3lyp_6-31g(d).firefly.inp (generated)

017648330.b3lyp_6-31g(d).smash.inp (generated)

017648330.b3lyp_6-31g(d).nwchem.inp (generated) 017648330.b3lyp_6-31g(d).log.xz 017648330.mol 017648330.PUBCHEM 017648330.mol (via Jmol)
017648352.b3lyp_6-31g(d).inp

017648352.b3lyp_6-31g(d).qchem.inp (generated)

017648352.b3lyp_6-31g(d).gjf (generated)

017648352.b3lyp_6-31g(d).firefly.inp (generated)

017648352.b3lyp_6-31g(d).smash.inp (generated)

017648352.b3lyp_6-31g(d).nwchem.inp (generated) 017648352.b3lyp_6-31g(d).log.xz 017648352.mol 017648352.PUBCHEM 017648352.mol (via Jmol)
017648470.b3lyp_6-31g(d).inp

017648470.b3lyp_6-31g(d).qchem.inp (generated)

017648470.b3lyp_6-31g(d).gjf (generated)

017648470.b3lyp_6-31g(d).firefly.inp (generated)

017648470.b3lyp_6-31g(d).smash.inp (generated)

017648470.b3lyp_6-31g(d).nwchem.inp (generated) 017648470.b3lyp_6-31g(d).log.xz 017648470.td-b3lyp_6-31g+(d).inp 017648470.td-b3lyp_6-31g+(d).log.xz

017648470.td-b3lyp_6-31+g(d).qchem.inp (generated)

017648470.td-b3lyp_6-31+g(d).gjf (generated)

017648470.td-b3lyp_6-31+g(d).firefly.inp (generated)

017648470.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017648470.mol 017648470.PUBCHEM 017648470.mol (via Jmol)
017648522.b3lyp_6-31g(d).inp

017648522.b3lyp_6-31g(d).qchem.inp (generated)

017648522.b3lyp_6-31g(d).gjf (generated)

017648522.b3lyp_6-31g(d).firefly.inp (generated)

017648522.b3lyp_6-31g(d).smash.inp (generated)

017648522.b3lyp_6-31g(d).nwchem.inp (generated) 017648522.b3lyp_6-31g(d).log.xz 017648522.td-b3lyp_6-31g+(d).inp 017648522.td-b3lyp_6-31g+(d).log.xz

017648522.td-b3lyp_6-31+g(d).qchem.inp (generated)

017648522.td-b3lyp_6-31+g(d).gjf (generated)

017648522.td-b3lyp_6-31+g(d).firefly.inp (generated)

017648522.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017648522.mol 017648522.PUBCHEM 017648522.mol (via Jmol)
017648944.b3lyp_6-31g(d).inp

017648944.b3lyp_6-31g(d).qchem.inp (generated)

017648944.b3lyp_6-31g(d).gjf (generated)

017648944.b3lyp_6-31g(d).firefly.inp (generated)

017648944.b3lyp_6-31g(d).smash.inp (generated)

017648944.b3lyp_6-31g(d).nwchem.inp (generated) 017648944.b3lyp_6-31g(d).log.xz 017648944.mol 017648944.PUBCHEM 017648944.mol (via Jmol)
017649124.b3lyp_6-31g(d).inp

017649124.b3lyp_6-31g(d).qchem.inp (generated)

017649124.b3lyp_6-31g(d).gjf (generated)

017649124.b3lyp_6-31g(d).firefly.inp (generated)

017649124.b3lyp_6-31g(d).smash.inp (generated)

017649124.b3lyp_6-31g(d).nwchem.inp (generated) 017649124.b3lyp_6-31g(d).log.xz 017649124.td-b3lyp_6-31g+(d).inp 017649124.td-b3lyp_6-31g+(d).log.xz

017649124.td-b3lyp_6-31+g(d).qchem.inp (generated)

017649124.td-b3lyp_6-31+g(d).gjf (generated)

017649124.td-b3lyp_6-31+g(d).firefly.inp (generated)

017649124.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017649124.mol 017649124.PUBCHEM 017649124.mol (via Jmol)
017649791.b3lyp_6-31g(d).inp

017649791.b3lyp_6-31g(d).qchem.inp (generated)

017649791.b3lyp_6-31g(d).gjf (generated)

017649791.b3lyp_6-31g(d).firefly.inp (generated)

017649791.b3lyp_6-31g(d).smash.inp (generated)

017649791.b3lyp_6-31g(d).nwchem.inp (generated) 017649791.b3lyp_6-31g(d).log.xz 017649791.mol 017649791.PUBCHEM 017649791.mol (via Jmol)
017649828.b3lyp_6-31g(d).inp

017649828.b3lyp_6-31g(d).qchem.inp (generated)

017649828.b3lyp_6-31g(d).gjf (generated)

017649828.b3lyp_6-31g(d).firefly.inp (generated)

017649828.b3lyp_6-31g(d).smash.inp (generated)

017649828.b3lyp_6-31g(d).nwchem.inp (generated) 017649828.b3lyp_6-31g(d).log.xz 017649828.td-b3lyp_6-31g+(d).inp 017649828.td-b3lyp_6-31g+(d).log.xz

017649828.td-b3lyp_6-31+g(d).qchem.inp (generated)

017649828.td-b3lyp_6-31+g(d).gjf (generated)

017649828.td-b3lyp_6-31+g(d).firefly.inp (generated)

017649828.td-b3lyp_6-31+g(d).nwchem.inp (generated) 017649828.mol 017649828.PUBCHEM 017649828.mol (via Jmol)


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