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Journal of Computational Chemistry|May 20, 2008
Analysis of electronic structures and chemical bonding of metal-rich compounds. I. Density functional study of Pt metal, LiPt2, LiPt, and Li2PtChanghoon Lee, Myung-Hwan Whangbo, Jürgen KöhlerJournal of Computational Chemistry|May 23, 2008
A first-principles DFT study of UN bulk and (001) surface: comparative LCAO and PW calculationsR A Evarestov, A V Bandura, M V Losev, et al.Journal of Computational Chemistry|May 23, 2008
Efficient electronic integrals and their generalized derivatives for object oriented implementations of electronic structure calculationsN Flocke, V LotrichJournal of Computational Chemistry|April 25, 2008
Electron localizability for hexagonal element structuresA I Baranov, M KohoutJournal of Computational Chemistry|April 25, 2008
Extension of adaptive tree code and fast multipole methods to high angular momentum particle charge densitiesTimothy J Giese, Darrin M YorkJournal of Computational Chemistry|April 25, 2008
Are Ba11Cd6Sb12 and Sr11Cd6Sb12 Zintl phases or not? A density-functional theory studySheng-Qing Xia, Svilen BobevJournal of Computational Chemistry|May 14, 2008
Influence of intrinsic defects on the properties of zinc oxideKarl Jug, Viatcheslav A TikhomirovJournal of Computational Chemistry|May 14, 2008
Cohesive properties of CeN and LaN from first principlesElena Voloshina, Beate PaulusJournal of Computational Chemistry|May 14, 2008
Theoretical characterizations of HAsXH (X = N, P, As, Sb, and Bi) isomers in the singlet and triplet statesChin-Hung Lai, Ming-Der SuJournal of Computational Chemistry|May 14, 2008
An optimized initialization algorithm to ensure accuracy in quantum Monte Carlo calculationsDaniel R Fisher, David R Kent, Michael T Feldmann, et al.Pageof 593