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Results: 1-9 |
Results: 9
COOPERATIVE EFFECTS IN THE STRUCTURING OF FLUORIDE WATER CLUSTERS - AB-INITIO HYBRID QUANTUM MECHANICAL MOLECULAR MECHANICAL MODEL INCORPORATING POLARIZABLE FLUCTUATING CHARGE SOLVENT/
Authors: BRYCE RA VINCENT MA MALCOLM NOJ HILLIER IH BURTON NA
Citation: Ra. Bryce et al., COOPERATIVE EFFECTS IN THE STRUCTURING OF FLUORIDE WATER CLUSTERS - AB-INITIO HYBRID QUANTUM MECHANICAL MOLECULAR MECHANICAL MODEL INCORPORATING POLARIZABLE FLUCTUATING CHARGE SOLVENT/, The Journal of chemical physics, 109(8), 1998, pp. 3077-3085
A SIMPLE SCALING FOR COMBINING MULTICONFIGURATIONAL WAVE-FUNCTIONS WITH DENSITY FUNCTIONALS
Authors: MALCOLM NOJ MCDOUALL JJW
Citation: Noj. Malcolm et Jjw. Mcdouall, A SIMPLE SCALING FOR COMBINING MULTICONFIGURATIONAL WAVE-FUNCTIONS WITH DENSITY FUNCTIONALS, Chemical physics letters, 282(2), 1998, pp. 121-127
COMBINING MULTICONFIGURATIONAL WAVE-FUNCTIONS WITH DENSITY-FUNCTIONALESTIMATES OF DYNAMIC ELECTRON CORRELATION .2. EFFECT OF IMPROVED VALENCE CORRELATION
Authors: MALCOLM NOJ MCDOUALL JJW
Citation: Noj. Malcolm et Jjw. Mcdouall, COMBINING MULTICONFIGURATIONAL WAVE-FUNCTIONS WITH DENSITY-FUNCTIONALESTIMATES OF DYNAMIC ELECTRON CORRELATION .2. EFFECT OF IMPROVED VALENCE CORRELATION, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(43), 1997, pp. 8119-8122
ELECTRONIC-STRUCTURE AND MOLECULAR-DYNAMICS OF NA2LI
Authors: MALCOLM NOJ MCDOUALL JJW
Citation: Noj. Malcolm et Jjw. Mcdouall, ELECTRONIC-STRUCTURE AND MOLECULAR-DYNAMICS OF NA2LI, Molecular physics, 91(5), 1997, pp. 917-922
ASSESSMENT OF THE LANGEVIN DIPOLES SOLVATION MODEL FOR HARTREE-FOCK WAVE-FUNCTIONS
Authors: MALCOLM NOJ MCDOUALL JJW
Citation: Noj. Malcolm et Jjw. Mcdouall, ASSESSMENT OF THE LANGEVIN DIPOLES SOLVATION MODEL FOR HARTREE-FOCK WAVE-FUNCTIONS, Journal of molecular structure. Theochem, 366(1-2), 1996, pp. 1-9
COMBINING MULTICONFIGURATIONAL WAVE-FUNCTIONS WITH DENSITY-FUNCTIONALESTIMATES OF DYNAMIC ELECTRON CORRELATION
Authors: MALCOLM NOJ MCDOUALL JJW
Citation: Noj. Malcolm et Jjw. Mcdouall, COMBINING MULTICONFIGURATIONAL WAVE-FUNCTIONS WITH DENSITY-FUNCTIONALESTIMATES OF DYNAMIC ELECTRON CORRELATION, Journal of physical chemistry, 100(24), 1996, pp. 10131-10134
A VARIATIONAL BIORTHOGONAL VALENCE-BOND METHOD
Authors: MALCOLM NOJ MCDOUALL JJW
Citation: Noj. Malcolm et Jjw. Mcdouall, A VARIATIONAL BIORTHOGONAL VALENCE-BOND METHOD, Journal of computational chemistry, 15(12), 1994, pp. 1357-1364
VARIATIONAL BIORTHOGONAL VALENCE-BOND DESCRIPTIONS OF 1,3-DIPOLES
Authors: MALCOLM NOJ MCDOUALL JJW
Citation: Noj. Malcolm et Jjw. Mcdouall, VARIATIONAL BIORTHOGONAL VALENCE-BOND DESCRIPTIONS OF 1,3-DIPOLES, Journal of computational chemistry, 15(12), 1994, pp. 1365-1371
DYNAMIC ELECTRON CORRELATION - A FRAGMENTS-IN-MOLECULES APPROACH
Authors: MALCOLM NOJ MCDOUALL JJW
Citation: Noj. Malcolm et Jjw. Mcdouall, DYNAMIC ELECTRON CORRELATION - A FRAGMENTS-IN-MOLECULES APPROACH, Journal of physical chemistry, 98(48), 1994, pp. 12579-12583
Risultati: 1-9 |