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The Journal of Chemical Physics|July 23, 2004
Investigating bonding in small silicon-carbon clusters: exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamicsMarjorie Bertolus, Fabio Finocchi, Philippe MillieThe Journal of Chemical Physics|July 23, 2004
Amide I vibrational circular dichroism of dipeptide: Conformation dependence and fragment analysisJun-Ho Choi, Minhaeng ChoThe Journal of Chemical Physics|July 23, 2004
Particle rearrangements during transitions between local minima of the potential energy landscape of a binary Lennard-Jones liquidMichael Vogel, Burkhard Doliwa, Andreas Heuer, et al.The Journal of Chemical Physics|July 23, 2004
Bridge mediated two-electron transfer reactions: analysis of stepwise and concerted pathwaysE G Petrov, V MayThe Journal of Chemical Physics|July 23, 2004
Dissociation mechanism of 2-propanol on a Si(111)-(7x7) surface studied by scanning tunneling microscopyKen-Ichi Tanaka, Yuka Nomoto, Zhao-Xiong XieThe Journal of Chemical Physics|July 23, 2004
Dynamical multiple-time stepping methods for overcoming resonance instabilitiesSiu A ChinThe Journal of Chemical Physics|July 23, 2004
A diffusion quantum Monte Carlo study of geometries and harmonic frequencies of moleculesShih-I LuThe Journal of Chemical Physics|July 23, 2004
Improved convergence in block copolymer self-consistent field theory by Anderson mixingR B Thompson, K Ø Rasmussen, T LookmanThe Journal of Chemical Physics|July 23, 2004
Towards an accurate representation of electrostatics in classical force fields: efficient implementation of multipolar interactions in biomolecular simulationsCeleste Sagui, Lee G Pedersen, Thomas A DardenThe Journal of Chemical Physics|July 23, 2004
Theoretical study of the He-HF+ complex. II. Rovibronic states from coupled diabatic potential energy surfacesG Dhont, W B Zeimen, G C Groenenboom, et al.Pageof 5,306