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Journal of Computational Chemistry|January 24, 2009
N(2)O in small para-hydrogen clusters: Structures and energeticsHua Zhu, Daiqian XieThe Journal of Chemical Physics|July 13, 2005
Ab initio intermolecular potential-energy surface and microwave spectra for the Ne-OCS complexHua Zhu, Yanzi Zhou, Daiqian XieJournal of Computational Chemistry|September 30, 2003
Theoretical studies for structures and energetics of Rgn-N2O (Rg=He, Ne, Ar) clustersHua Zhu, Daiqian Xie, Guosen YanJournal of Computational Chemistry|April 28, 2006
Ab initio potential energy surface and predicted microwave spectra for Ar--OCS dimer and structures of Arn--OCS (n = 2-14) clustersHua Zhu, Yong Guo, Ying Xue, et al.The Journal of Chemical Physics|December 20, 2012
A new ab initio intermolecular potential energy surface and predicted rotational spectra of the Kr-H2O complexJinping Lei, Yanzi Zhou, Daiqian Xie, et al.The Journal of Chemical Physics|September 21, 2010
A new ab initio potential energy surface and microwave and infrared spectra for the Ne-CO(2) complexRong Chen, Erqiang Jiao, Hua Zhu, et al.Journal of Computational Chemistry|September 25, 2004
A theoretical study of solvent effects on tautomerism and electronic absorption spectra of 3-hydroxy-2-mercaptopyridine and 2,3-dihydroxypyridineWeizhong Yan, Ying Xue, Hua Zhu, et al.Journal of Computational Chemistry|March 4, 2011
New ab initio potential energy surfaces for both the ground (X̃1A') and excited (Ã1A″) electronic states of HSiCl and the absorption and emission spectra of HSiCl/DSiClSen Lin, Daiqian XieThe Journal of Chemical Physics|July 23, 2004
Intermolecular potential energy surface and rovibrational spectra of the He-N2O complex from ab initio calculationsYanzi Zhou, Daiqian XieJournal of Computational Chemistry|June 30, 2004
Hydrogen bonding and solvatochromatic shift of the lowest 1(n, pi*) excitation of s-tetrazine in its hydrated clusters and dilute solutionsDaiqian Xie, Jun ZengPageof 316