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The Journal of Chemical Physics|June 11, 2005
Rosenbluth-sampled nonequilibrium work method for calculation of free energies in molecular simulationDi Wu, David A KofkeThe Journal of Chemical Physics|June 11, 2005
Non-Fickian interdiffusion of dynamically asymmetric species: a molecular-dynamics studyJacqueline Yaneva, Burkhard Dünweg, Andrey MilchevThe Journal of Chemical Physics|June 11, 2005
Improved importance sampling distribution for rate constant calculationMassimo MellaThe Journal of Chemical Physics|June 11, 2005
Variational calculation of vibrational linear and nonlinear optical propertiesMiquel Torrent-Sucarrat, Josep M Luis, Bernard KirtmanThe Journal of Chemical Physics|June 11, 2005
Momentum-space properties from coordinate-space electron densityManoj K Harbola, Rajendra R Zope, Anjali Kshirsagar, et al.The Journal of Chemical Physics|June 11, 2005
Pseudorotation motion in tetrahydrofuran: an ab initio studyVíctor M Rayón, Jose A SordoThe Journal of Chemical Physics|June 11, 2005
Theoretical study on germanium cyanide radical GeCN and its ionsQiang Wang, Yi-hong Ding, Chia-chung SunThe Journal of Chemical Physics|June 11, 2005
Ionization energy measurements and electronic spectra for ThOVasiliy Goncharov, Jiande Han, Leonid A Kaledin, et al.The Journal of Chemical Physics|June 11, 2005
Experimental and theoretical investigations of the reactions NH(X 3Sigma-) + D(2S)-->ND(X 3Sigma-) + H(2S) and NH(X 3Sigma-) + D(2S)-->N(4S) + HD(X 1Sigmag+)Z-W Qu, H Zhu, R Schinke, et al.The Journal of Chemical Physics|June 11, 2005
Collision-induced nonadiabatic transitions in the second-tier ion-pair states of iodine molecule: experimental and theoretical study of the I2(f0g+) collisions with rare gas atomsM E Akopyan, I Yu Novikova, S A Poretsky, et al.Pageof 5,306