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Physical Chemistry Chemical Physics : PCCP|March 17, 2011
Extending the molecular size in accurate quantum-chemical calculations: the equilibrium structure and spectroscopic properties of uracilCristina Puzzarini, Vincenzo BaronePhysical Chemistry Chemical Physics : PCCP|March 25, 2011
Electronic structure and magnetic properties of the graphene/Fe/Ni111 intercalation-like systemM Weser, E N Voloshina, K Horn, et al.Physical Chemistry Chemical Physics : PCCP|March 25, 2011
How many amorphous ices are there?Thomas Loerting, Katrin Winkel, Markus Seidl, et al.Physical Chemistry Chemical Physics : PCCP|April 15, 2011
Numerical evidence of the formation of a thin microscopic film of methane at the water surface: a free energy calculationAziz Ghoufi, Patrice MalfreytPhysical Chemistry Chemical Physics : PCCP|April 15, 2011
High resolution electron attachment to CO₂ clustersStephan Denifl, Violaine Vizcaino, Tilmann D Märk, et al.Physical Chemistry Chemical Physics : PCCP|April 14, 2011
Defect clustering and local ordering in rare earth co-doped ceriaDing Rong Ou, Fei Ye, Toshiyuki MoriPhysical Chemistry Chemical Physics : PCCP|April 14, 2011
Using molecular simulation to predict solute solvation and partition coefficients in solvents of different polarityNuno M Garrido, Miguel Jorge, António J Queimada, et al.Physical Chemistry Chemical Physics : PCCP|April 14, 2011
Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization pathA J C VarandasPhysical Chemistry Chemical Physics : PCCP|April 14, 2011
Long-range energy transfer and ionization in extended quantum systems driven by ultrashort spatially shaped laser pulsesGuennaddi K Paramonov, André D Bandrauk, Oliver KühnPhysical Chemistry Chemical Physics : PCCP|April 6, 2011
Which similarity measure is better for analyzing protein structures in a molecular dynamics trajectory?Pilar Cossio, Alessandro Laio, Fabio PietrucciPageof 4,882