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The Journal of Chemical Physics|January 11, 2005
An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systemsXin Xu, Qingsong Zhang, Richard P Muller, et al.
The Journal of Chemical Physics|January 11, 2005
Short-range exchange and correlation energy density functionals: beyond the local-density approximationJulien Toulouse, François Colonna, Andreas Savin
The Journal of Chemical Physics|January 11, 2005
Ion-molecule reactions in 4He droplets: flying nano-cryo-reactorsMichal Fárník, J Peter Toennies
The Journal of Chemical Physics|January 11, 2005
Ab initio study on the spectroscopy of CuCl2. II. Benchmark calculations on the X2Pi g-C2Deltag and X2Pi g-D2Deltag transitionsA Ramírez-Solís, J P Daudey
The Journal of Chemical Physics|January 11, 2005
Frequency dependent heat capacity within a kinetic model of glassy dynamicsDwaipayan Chakrabarti, Biman Bagchi
The Journal of Chemical Physics|January 11, 2005
Dynamics of ferrocene in AlPO4-5 single crystals probed by nuclear forward scatteringT Asthalter, J Villanueva Garibay, V Olszowka, et al.
The Journal of Chemical Physics|January 11, 2005
The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid waterJoost VandeVondele, Fawzi Mohamed, Matthias Krack, et al.
The Journal of Chemical Physics|January 11, 2005
Quantum trajectories in elastic atom-surface scattering: threshold and selective adsorption resonancesA S Sanz, S Miret-Artés
The Journal of Chemical Physics|January 11, 2005
Brownian dynamics simulations of a flexible polymer chain which includes continuous resistance and multibody hydrodynamic interactionsJason E Butler, Eric S G Shaqfeh
The Journal of Chemical Physics|January 11, 2005
Structure of amorphous poly-(ethylmethacrylate): a wide-angle x-ray scattering studyM Wind, R Graf, S Renker, et al.
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