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The Journal of Chemical Physics|March 25, 2006
Analysis of osmotic pressure data for aqueous protein solutions via a multicomponent modelM Druchok, Yu Kalyuzhnyi, J Rescic, et al.The Journal of Chemical Physics|December 11, 2007
Avoiding singularity problems associated with meta-GGA (generalized gradient approximation) exchange and correlation functionals containing the kinetic energy densityJürgen Gräfenstein, Dmitry Izotov, Dieter CremerThe Journal of Chemical Physics|December 11, 2007
The d (3)Pi(g)-c (3)Sigma(u) (+) band system of C2Jenna A Joester, Masakazu Nakajima, Neil J Reilly, et al.The Journal of Chemical Physics|December 11, 2007
Large attractive depletion interactions in soft repulsive-sphere binary mixturesGiorgio Cinacchi, Yuri Martínez-Ratón, Luis Mederos, et al.The Journal of Chemical Physics|December 11, 2007
The single-crystal, basal face of ice I(h) investigated with sum frequency generationHenning Groenzin, Irene Li, Victoria Buch, et al.The Journal of Chemical Physics|December 11, 2007
Electronic and vibrational properties of nickel sulfides from first principlesJeng-Han Wang, Zhe Cheng, Jean-Luc Brédas, et al.The Journal of Chemical Physics|May 20, 2006
Is the uniform electron gas limit important for small Ag clusters? Assessment of different density functionals for Ag(n) (n < or = 4)Shuang Zhao, Zhen-Hua Li, Wen-Ning Wang, et al.The Journal of Chemical Physics|December 7, 2007
A density matrix-based method for the linear-scaling calculation of dynamic second- and third-order properties at the Hartree-Fock and Kohn-Sham density functional theory levelsJörg Kussmann, Christian OchsenfeldThe Journal of Chemical Physics|December 7, 2007
Optimization of replica exchange molecular dynamics by fast mimickingJozef Hritz, Chris OostenbrinkPageof 5,308