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Results: 1-12 |
Results: 12
Hydrogen bonding and the dipole moment of hydrofluorocarbons by density functional theory
Authors: Cabral, BJC Guedes, RC Pai-Panandiker, RS de Castro, CAN
Citation: Bjc. Cabral et al., Hydrogen bonding and the dipole moment of hydrofluorocarbons by density functional theory, PHYS CHEM P, 3(19), 2001, pp. 4200-4207
Fluids of strongly interacting dipoles: Monte Carlo sampling using Tsallisstatistics
Authors: Cabral, BJC
Citation: Bjc. Cabral, Fluids of strongly interacting dipoles: Monte Carlo sampling using Tsallisstatistics, PHYSICA A, 295(1-2), 2001, pp. 234-241
Structure and conformational equilibrium of thiacalix[4]arene by density functional theory
Authors: Bemardino, RJ Cabral, BJC
Citation: Rj. Bemardino et Bjc. Cabral, Structure and conformational equilibrium of thiacalix[4]arene by density functional theory, J MOL ST-TH, 549(3), 2001, pp. 253-260
Thermochemical properties and structure of phenol-(H2O)(1-6) and phenoxy-(H2O)(1-4) by density functional theory
Authors: Guedes, RC Cabral, BJC Simoes, JAM Diogo, HP
Citation: Rc. Guedes et al., Thermochemical properties and structure of phenol-(H2O)(1-6) and phenoxy-(H2O)(1-4) by density functional theory, J PHYS CH A, 104(25), 2000, pp. 6062-6068
Structure of polydisperse dipolar hard-sphere fluids
Authors: Cabral, BJC
Citation: Bjc. Cabral, Structure of polydisperse dipolar hard-sphere fluids, J CHEM PHYS, 112(9), 2000, pp. 4351-4356
Structure, conformational equilibrium, and proton affinity of calix[4]arene by density functional theory
Authors: Bernardino, RJ Cabral, BJC
Citation: Rj. Bernardino et Bjc. Cabral, Structure, conformational equilibrium, and proton affinity of calix[4]arene by density functional theory, J PHYS CH A, 103(45), 1999, pp. 9080-9085
Ab initio and density functional theory calculations of molecular structure and vibrational spectrum of ethyl azidoacetate
Authors: Cabral, BJC Costa, ML
Citation: Bjc. Cabral et Ml. Costa, Ab initio and density functional theory calculations of molecular structure and vibrational spectrum of ethyl azidoacetate, THEOCHEM, 469, 1999, pp. 55-61
First principles molecular dynamics of a liquid Li-Na alloy
Authors: Cabral, BJC Martins, JL
Citation: Bjc. Cabral et Jl. Martins, First principles molecular dynamics of a liquid Li-Na alloy, THEOCHEM, 463(1-2), 1999, pp. 145-149
Substituent effects on the O-H bond dissociation enthalpies in phenolic compounds: agreements and controversies. (vol 71, pg 1249, 1999)
Authors: Bizarro, MM Cabral, BJC dos Santos, RMB Simoes, JAM
Citation: Mm. Bizarro et al., Substituent effects on the O-H bond dissociation enthalpies in phenolic compounds: agreements and controversies. (vol 71, pg 1249, 1999), PUR A CHEM, 71(8), 1999, pp. 1609-1610
Substituent effects on the O-H bond dissociation enthalpies in phenolic compounds: agreements and controversies
Authors: Bizarro, MM Cabral, BJC dos Santos, RMB Simoes, JAM
Citation: Mm. Bizarro et al., Substituent effects on the O-H bond dissociation enthalpies in phenolic compounds: agreements and controversies, PUR A CHEM, 71(7), 1999, pp. 1249-1256
Homocoordination preference in NaCs and LiNa liquid alloys by first principles molecular dynamics
Authors: Cabral, BJC Martins, JL
Citation: Bjc. Cabral et Jl. Martins, Homocoordination preference in NaCs and LiNa liquid alloys by first principles molecular dynamics, J CHEM PHYS, 111(11), 1999, pp. 5067-5072
Hydrogen bonding and conformational equilibrium in p-tert-butyldihomooxacalix[4] arene
Authors: Bernardino, RJ Cabral, BJC Pereira, JLC
Citation: Rj. Bernardino et al., Hydrogen bonding and conformational equilibrium in p-tert-butyldihomooxacalix[4] arene, THEOCHEM, 455(1), 1998, pp. 23-32
Risultati: 1-12 |