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8篇 您的检索式:作者名="VREVEN T"
    题名 作者 年代 出处 被引量
1Analytic Second Derivatives for Semiempirical Models Based on MNDO 显示文摘Frusch M J Scalmani G Vreven T 2009Molecular Physics2009,107,:1
2Elucidation of the mechanism of selenoprotein gtutathione peroxidase (GPx)-catalyzed hydrogen peroxide reduction by two glutathione molecules : a density functional study 显示文摘Prabhakar R Vreven T Morokuma K 2005Biochemistry2005,44,11:1
3Combining quantummechanics methods with molecular mechanics methods in ONI-OM显示文摘Vreven T Byun K S Kom6romi I 2006journal of Chemical Theory and Computation2006,2,3:1
4Elucidation of the mechanism of selenoprotein glutathione peroxidase (gpx) catalyzed hydrogen peroxide reduction by two gluta- thione molecules : a density functional study 显示文摘Prabhakar R Vreven T Morokuma K 2005Biochem- /siry2005,44,11:1
5The accurate calculation and prediction of the bond dissociation energies in a series of hydrocarbons using theIMOMO (integrated molecular orbital+ molecular orbital) methods显示文摘VREVEN T MOROKUMA K 1999Chem Phys1999,111,19:1
6Prediction of the dissociation energy of hexaphenylethane using the ONIOM (MO: MO: MO) method显示文摘VREVEN T MOROKUMA K 2002J Phys Chem A2002,106,25:1
7The ONIOM (our own N-layered integrated molecular orbital + molecular mechanics) method for the first singlet excited ($1) state photoisomerization path of a retinal protonated Sehiff base显示文摘Vreven T Morokuma K 2000J Chem Phys2000,113,:1
8查看详情显示文摘Frisch M J Trucks G W Schlegel H B Scuseria G E Robb M A Cheeseman J R Montgomery J A Jr Vreven T Kudin K N Burant J C Millam J M Iyengar S S Tomasi J Barone V Mennucci B Cossi M Scalmani G Rega N Petersson G A Nakatsuji H Hada M Ehara M Toyota K Fukuda R 0,,:1
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