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Journal of the American Chemical Society|December 4, 2008
The changing hydrogen-bond network of water from the bulk to the surface of a cluster: a born-oppenheimer molecular dynamics studyN Galamba, B J Costa CabralThe Journal of Physical Chemistry. B|November 26, 2009
Born-Oppenheimer molecular dynamics of the hydration of Na+ in a water clusterN Galamba, B J Costa CabralThe Journal of Chemical Physics|April 7, 2007
First principles molecular dynamics of molten NaClN Galamba, B J Costa CabralThe Journal of Chemical Physics|September 11, 2007
First principles molecular dynamics of molten NaI: structure, self-diffusion, polarization effects, and charge transferN Galamba, B J Costa CabralThe Journal of Chemical Physics|March 10, 2010
Ab initio approach to the electronic properties of sodium-ammonia clusters: comparison with ammonia clustersT S Almeida, B J Costa CabralJournal of Chemical Theory and Computation|November 27, 2015
A Simple One-Body Approach to the Calculation of the First Electronic Absorption Band of WaterRicardo A Mata, Hermann Stoll, B J Costa CabralThe Journal of Physical Chemistry. A|October 8, 2011
Electronic properties of hydrogen-bonded complexes of benzene(HCN)(1-4): comparison with benzene(H2O)(1-4)M P S Mateus, N Galamba, B J Costa CabralThe Journal of Chemical Physics|August 20, 2005
The Kohn-Sham density of states and band gap of water: from small clusters to liquid waterP Cabral do Couto, S G Estácio, B J Costa CabralThe Journal of Chemical Physics|March 3, 2005
Polarization effects and charge separation in AgCl-water clustersS S M C Godinho, P Cabral do Couto, B J Costa CabralChemistry (Weinheim an Der Bergstrasse, Germany)|March 29, 2001
Energetics of C-Cl, C-Br, and C-I bonds in haloacetic acids: enthalpies of formation of XCH2COOH (X=CI, Br, I) compounds and the carboxymethyl radicalA L Lagoa, H P Diogo, M P Dias, et al.Pageof 1