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Journal of Molecular Modeling|June 25, 2013
The symmetric and asymmetric thiophene-fused benzocarborane: structures and first hyperpolarizabilitiesYong Li, Heng-Qing Wu, Hong-Liang Xu, et al.Journal of Molecular Modeling|November 2, 2005
Rearrangements in icosahedral boranes and carboranes revisitedChristopher A Brown, Michael L McKeeJournal of Molecular Modeling|September 6, 2006
Localized and delocalized perfluorosemibullvalenesHai-Shun Wu, Jianfeng Jia, Haijun JiaoJournal of Molecular Modeling|May 9, 2006
Ab initio and DFT study on the electrophilic addition reaction of bromine to tetracyclo[5.3.0.0(2,6).0 (3,10)]deca-4,8-dieneRza AbbasogluJournal of Molecular Modeling|July 20, 2007
Aromaticity and electronic properties of Heterosuperbenzene (Heterohexabenzocoronene)Roberto SalcedoJournal of Molecular Modeling|February 10, 2009
How does modification of adenine by hydroxyl radical influence the stability and the nature of stacking interactions in adenine-cytosine complex?Zaneta CzyznikowskaJournal of Molecular Modeling|June 10, 2009
Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: part 2: group RIsis Rodríguez-Sanchez, Erasto Armando Zaragoza-Contreras, Daniel Glossman-MitnikJournal of Molecular Modeling|December 4, 2008
The effect of ring size on vibrational spectroscopy and hydrogen bonding properties for the complexes between small ring carbonyl compounds with HF and HCl: theoretical analysisHossein Hooshyar, Karim Zare, Naser Modirshahla, et al.Journal of Molecular Modeling|June 3, 2010
Theoretical study of the hydrogen abstraction from vitamin-E analogues. The usefulness of DFT descriptorsSoledad Gutiérrez-OlivaJournal of Molecular Modeling|March 11, 2010
The dual descriptor to measure local reactivity on Buckminster fullerenes: an analysis within the framework of conceptual DFTJorge Ignacio Martínez, José Luis Moncada, José Miguel LarenasPageof 696