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Results: 1-18 |
Results: 18
UNIMPORTANCE OF THE SURROUNDING LATTICE IN THE ADSORPTION OF CO ON LOW-COORDINATED MG SITES OF MGO
Authors: PELMENSCHIKOV AG MOROSI G GAMBA A COLUCCIA S
Citation: Ag. Pelmenschikov et al., UNIMPORTANCE OF THE SURROUNDING LATTICE IN THE ADSORPTION OF CO ON LOW-COORDINATED MG SITES OF MGO, JOURNAL OF PHYSICAL CHEMISTRY B, 102(12), 1998, pp. 2226-2231
STABILITY OF 4-BODY SYSTEMS IN 3 AND 2 DIMENSIONS - A THEORETICAL ANDQUANTUM MONTE-CARLO STUDY OF BIEXCITON MOLECULES
Authors: BRESSANINI D MELLA M MOROSI G
Citation: D. Bressanini et al., STABILITY OF 4-BODY SYSTEMS IN 3 AND 2 DIMENSIONS - A THEORETICAL ANDQUANTUM MONTE-CARLO STUDY OF BIEXCITON MOLECULES, Physical review. A, 57(6), 1998, pp. 4956-4959
STABILITY AND POSITRON-ANNIHILATION OF POSITRONIUM HYDRIDE L=0,1,2 STATES - A QUANTUM MONTE-CARLO STUDY
Authors: BRESSANINI D MELLA M MOROSI G
Citation: D. Bressanini et al., STABILITY AND POSITRON-ANNIHILATION OF POSITRONIUM HYDRIDE L=0,1,2 STATES - A QUANTUM MONTE-CARLO STUDY, Physical review. A, 57(3), 1998, pp. 1678-1685
POSITRON CHEMISTRY BY QUANTUM MONTE-CARLO - II - GROUND-STATE OF POSITION-POLAR MOLECULE COMPLEXES
Authors: BRESSANINI D MELLA M MOROSI G
Citation: D. Bressanini et al., POSITRON CHEMISTRY BY QUANTUM MONTE-CARLO - II - GROUND-STATE OF POSITION-POLAR MOLECULE COMPLEXES, The Journal of chemical physics, 109(5), 1998, pp. 1716-1720
POSITRON AND POSITRONIUM CHEMISTRY BY QUANTUM MONTE-CARLO - III - GROUND-STATE OF [OH,PS], [CH,PS], AND [NH2,PS] COMPLEXES
Authors: BRESSANINI D MELLA M MOROSI G
Citation: D. Bressanini et al., POSITRON AND POSITRONIUM CHEMISTRY BY QUANTUM MONTE-CARLO - III - GROUND-STATE OF [OH,PS], [CH,PS], AND [NH2,PS] COMPLEXES, The Journal of chemical physics, 109(14), 1998, pp. 5931-5934
POSITRONIUM CHEMISTRY BY QUANTUM MONTE-CARLO - I - POSITRONIUM-FIRST ROW ATOM COMPLEXES
Authors: BRESSANINI D MELLA M MOROSI G
Citation: D. Bressanini et al., POSITRONIUM CHEMISTRY BY QUANTUM MONTE-CARLO - I - POSITRONIUM-FIRST ROW ATOM COMPLEXES, The Journal of chemical physics, 108(12), 1998, pp. 4756-4760
ADSORPTION OF WATER AND METHANOL ON SILICA HYDROXYLS - AB-INITIO ENERGY AND FREQUENCY CALCULATIONS
Authors: PELMENSCHIKOV AG MOROSI G GAMBA A
Citation: Ag. Pelmenschikov et al., ADSORPTION OF WATER AND METHANOL ON SILICA HYDROXYLS - AB-INITIO ENERGY AND FREQUENCY CALCULATIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(6), 1997, pp. 1178-1187
STABILITY OF 4-UNIT-CHARGE SYSTEMS - A QUANTUM MONTE-CARLO STUDY
Authors: BRESSANINI D MELLA M MOROSI G
Citation: D. Bressanini et al., STABILITY OF 4-UNIT-CHARGE SYSTEMS - A QUANTUM MONTE-CARLO STUDY, Physical review. A, 55(1), 1997, pp. 200-205
ADSORPTION OF WATER ON SILICA HYDROXYLS - DFT CALCULATIONS
Authors: PELMENSCHIKOV AG MOROSI G GAMBA A
Citation: Ag. Pelmenschikov et al., ADSORPTION OF WATER ON SILICA HYDROXYLS - DFT CALCULATIONS, Nuovo cimento della Societa italiana di fisica. D, Condensed matter,atomic, molecular and chemical physics, biophysics, 19(11), 1997, pp. 1749-1758
NONADIABATIC WAVE-FUNCTIONS AS LINEAR EXPANSIONS OF CORRELATED EXPONENTIALS - A QUANTUM MONTE-CARLO APPLICATION TO H-2(+) AND PS(2)
Authors: BRESSANINI D MELLA M MOROSI G
Citation: D. Bressanini et al., NONADIABATIC WAVE-FUNCTIONS AS LINEAR EXPANSIONS OF CORRELATED EXPONENTIALS - A QUANTUM MONTE-CARLO APPLICATION TO H-2(+) AND PS(2), Chemical physics letters, 272(5-6), 1997, pp. 370-375
SINGLE AND MULTIPLE LEWIS SITES OF MGO - A COMBINED IR AND AB-INITIO STUDY WITH CD3CN AS A MOLECULAR PROBE
Authors: PELMENSCHIKOV AG MOROSI G GAMBA A COLUCCIA S MARTRA G PAUKSHTIS EA
Citation: Ag. Pelmenschikov et al., SINGLE AND MULTIPLE LEWIS SITES OF MGO - A COMBINED IR AND AB-INITIO STUDY WITH CD3CN AS A MOLECULAR PROBE, Journal of physical chemistry, 100(12), 1996, pp. 5011-5016
WAVE-FUNCTION OPTIMIZATION BY LEAST-SQUARES FITTING OF THE EXACT WAVE-FUNCTION SAMPLED BY QUANTUM MONTE-CARLO
Authors: BIANCHI R BRESSANINI D CREMASCHI P MELLA M MOROSI G
Citation: R. Bianchi et al., WAVE-FUNCTION OPTIMIZATION BY LEAST-SQUARES FITTING OF THE EXACT WAVE-FUNCTION SAMPLED BY QUANTUM MONTE-CARLO, International journal of quantum chemistry, 57(3), 1996, pp. 321-325
THE HYDROPHOBIC HYDRATION OF OXYGEN - A MONTE-CARLO INVESTIGATION
Authors: FOIS ES GAMBA A MOROSI G
Citation: Es. Fois et al., THE HYDROPHOBIC HYDRATION OF OXYGEN - A MONTE-CARLO INVESTIGATION, Gazzetta chimica italiana, 126(11), 1996, pp. 729-733
A CHECK OF QUANTUM-CHEMICAL MOLECULAR-MODELS OF ADSORPTION ON OXIDES AGAINST EXPERIMENTAL INFRARED DATA
Authors: PELMENSCHIKOV AG MOROSI G GAMBA A COLUCCIA S
Citation: Ag. Pelmenschikov et al., A CHECK OF QUANTUM-CHEMICAL MOLECULAR-MODELS OF ADSORPTION ON OXIDES AGAINST EXPERIMENTAL INFRARED DATA, Journal of physical chemistry, 99(41), 1995, pp. 15018-15022
MANY-ELECTRON CORRELATED EXPONENTIAL WAVE-FUNCTIONS - A QUANTUM MONTE-CARLO APPLICATION TO H-2 AND HE-2(+)
Authors: BRESSANINI D MELLA M MOROSI G
Citation: D. Bressanini et al., MANY-ELECTRON CORRELATED EXPONENTIAL WAVE-FUNCTIONS - A QUANTUM MONTE-CARLO APPLICATION TO H-2 AND HE-2(+), Chemical physics letters, 240(5-6), 1995, pp. 566-570
A QUANTUM MONTE-CARLO SIMULATION OF THE 2-DIMENSIONAL H-2 MOLECULE
Authors: BIANCHI R BRESSANINI D CREMASCHI P MELLA M MOROSI G
Citation: R. Bianchi et al., A QUANTUM MONTE-CARLO SIMULATION OF THE 2-DIMENSIONAL H-2 MOLECULE, International journal of quantum chemistry, 50(6), 1994, pp. 401-410
MECHANISMS OF METHANOL ADSORPTION ON SILICALITE AND SILICA - IR-SPECTRA AND AB-INITIO CALCULATIONS
Authors: PELMENSCHIKOV AG MOROSI G GAMBA A ZECCHINA A BORDIGA S PAUKSHTIS EA
Citation: Ag. Pelmenschikov et al., MECHANISMS OF METHANOL ADSORPTION ON SILICALITE AND SILICA - IR-SPECTRA AND AB-INITIO CALCULATIONS, Journal of physical chemistry, 97(46), 1993, pp. 11979-11986
ANTISYMMETRY IN THE QUANTUM MONTE-CARLO METHOD WITH THE A-FUNCTION TECHNIQUE - H-2 B(3)SIGMA(U)(-2 C(3)PI(U), HE 1 S-3(), H)
Authors: BIANCHI R BRESSANINI D CREMASCHI P MOROSI G
Citation: R. Bianchi et al., ANTISYMMETRY IN THE QUANTUM MONTE-CARLO METHOD WITH THE A-FUNCTION TECHNIQUE - H-2 B(3)SIGMA(U)(-2 C(3)PI(U), HE 1 S-3(), H), The Journal of chemical physics, 98(9), 1993, pp. 7204-7209
Risultati: 1-18 |