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The Journal of Chemical Physics|July 23, 2004
A computational study of microsolvation effect on ethylene glycol by density functional methodAjay Chaudhari, Shyi-Long LeeJournal of Molecular Modeling|March 7, 2012
Cooperativity effects in linear formaldehyde oligomers using density functional theory calculationsVinayak Deshmukh, Shyi-Long Lee, Ajay ChaudhariThe Journal of Chemical Physics|July 23, 2004
Many-body interaction in glycine-(water)3 complex using density functional theory methodAjay Chaudhari, Prabhat K Sahu, Shyi-Long LeeJournal of Molecular Modeling|September 8, 2012
Correlation between substituent constants and hyperpolarizabilities for di-substituted trans-azobenzenesTsung-Yi Lin, Ajay Chaudhari, Shyi-Long LeeJournal of Computational Chemistry|September 8, 2005
Theoretical studies on nonlinear optical properties of formaldehyde oligomers by ab initio and density functional theory methodsHui-Yin Wu, Ajay Chaudhari, Shyi-Long LeeJournal of Molecular Modeling|March 3, 2010
Many-body energies during proton transfer in an aqueous systemAjay Chaudhari, Gul Afroz Meraj, Shyi-Long LeeJournal of Computational Chemistry|October 15, 2011
Verification of DFT-predicted hydrogen storage capacity of VC3H3 complex using molecular dynamics simulationsNitin Wadnerkar, Vijayanand Kalamse, Shyi-Long Lee, et al.Journal of Molecular Modeling|June 28, 2012
Computational investigation on microsolvation of the osmolyte glycine betaine [GB (H(2)O)(1-7)]Srinivasadesikan Venkatesan, Shyi-Long LeeThe Journal of Chemical Physics|August 13, 2005
Hydrogen-bond interaction in 1:1 complexes of tetrahydrofuran with water, hydrogen fluoride, and ammonia: a theoretical studyPrabhat K Sahu, Shyi-Long LeeOrganic & Biomolecular Chemistry|June 15, 2016
Intramolecular hydroarylation of aryl propargyl ethers catalyzed by indium: the mechanism of the reaction and identifying the catalytic speciesMengistu Gemech Menkir, Shyi-Long LeePageof 5