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Results: 1-25 | 26-50 | 51-59
Results: 1-25/59
MODIFICATION OF GUEST AND SAUNDERS OPEN-SHELL SCF EQUATIONS TO EXCLUDE BSSE FROM MOLECULAR INTERACTION CALCULATIONS
Authors: FAMULARI A GIANINETTI E RAIMONDI M SIRONI M VANDONI I
Citation: A. Famulari et al., MODIFICATION OF GUEST AND SAUNDERS OPEN-SHELL SCF EQUATIONS TO EXCLUDE BSSE FROM MOLECULAR INTERACTION CALCULATIONS, Theoretical Chemistry accounts ( Theoretical Chemistry accounts (Print)), 99(6), 1998, pp. 358-365
OPTIMIZATION OF VIRTUAL ORBITALS IN THE FRAMEWORK OF A MULTICONFIGURATION SPIN-COUPLED WAVE-FUNCTION
Authors: CLARKE NJ RAIMONDI M SIRONI M GERRATT J COOPER DL
Citation: Nj. Clarke et al., OPTIMIZATION OF VIRTUAL ORBITALS IN THE FRAMEWORK OF A MULTICONFIGURATION SPIN-COUPLED WAVE-FUNCTION, Theoretical chemistry accounts, 99(1), 1998, pp. 8-17
WEAR OF POLYETHYLENE CUPS IN TOTAL HIP-ARTHROPLASTY - A PARAMETRIC MATHEMATICAL-MODEL
Authors: PIETRABISSA R RAIMONDI M DIMARTINO E
Citation: R. Pietrabissa et al., WEAR OF POLYETHYLENE CUPS IN TOTAL HIP-ARTHROPLASTY - A PARAMETRIC MATHEMATICAL-MODEL, Medical engineering & physics, 20(3), 1998, pp. 199-210
SPIN-COUPLED DESCRIPTION OF FLUOROCYCLOPHOSPHAZENES (NPF2)(3), (NPF2)(4), (NPF2)(5)
Authors: RAIMONDI M SIRONI M GERRATT J COOPER DL KARADAKOV PB
Citation: M. Raimondi et al., SPIN-COUPLED DESCRIPTION OF FLUOROCYCLOPHOSPHAZENES (NPF2)(3), (NPF2)(4), (NPF2)(5), Journal of the Chemical Society. Faraday transactions, 94(11), 1998, pp. 1541-1545
HUMAN CELL-MEMBRANE OXIDATIVE DAMAGE-INDUCED BY SINGLE AND FRACTIONATED DOSES OF IONIZING-RADIATION - A FLUORESCENCE SPECTROSCOPY STUDY
Authors: GIUSTI AM RAIMONDI M RAVAGNAN G SAPORA O PARASASSI T
Citation: Am. Giusti et al., HUMAN CELL-MEMBRANE OXIDATIVE DAMAGE-INDUCED BY SINGLE AND FRACTIONATED DOSES OF IONIZING-RADIATION - A FLUORESCENCE SPECTROSCOPY STUDY, International journal of radiation biology (Print), 74(5), 1998, pp. 595-605
INTERACTION ANISOTROPY AND QUANTUM DYNAMICS FOR VIBRATIONALLY INELASTIC-COLLISIONS OF LIH((1)SIGMA) WITH HE(S-1)
Authors: BODO E BUONOMO E GIANTURCO FA KUMAR S FAMULARI A RAIMONDI M SIRONI M
Citation: E. Bodo et al., INTERACTION ANISOTROPY AND QUANTUM DYNAMICS FOR VIBRATIONALLY INELASTIC-COLLISIONS OF LIH((1)SIGMA) WITH HE(S-1), Chemical physics, 237(3), 1998, pp. 315-331
CLASSICAL AND QUANTUM DYNAMICS ON THE COLLINEAR POTENTIAL-ENERGY SURFACE FOR THE REACTION OF LI WITH H-2
Authors: CLARKE NJ SIRONI M RAIMONDI M KUMAR S GIANTURCO FA BUONOMO E COOPER DL
Citation: Nj. Clarke et al., CLASSICAL AND QUANTUM DYNAMICS ON THE COLLINEAR POTENTIAL-ENERGY SURFACE FOR THE REACTION OF LI WITH H-2, Chemical physics, 233(1), 1998, pp. 9-27
HARTREE-FOCK LIMIT PROPERTIES OF THE WATER DIMER IN ABSENCE OF BSSE
Authors: FAMULARI A RAIMONDI M SIRONI M GIANINETTI E
Citation: A. Famulari et al., HARTREE-FOCK LIMIT PROPERTIES OF THE WATER DIMER IN ABSENCE OF BSSE, Chemical physics, 232(3), 1998, pp. 275-287
AB-INITIO MO-VB STUDY OF WATER DIMER
Authors: FAMULARI A RAIMONDI M SIRONI M GIANINETTI E
Citation: A. Famulari et al., AB-INITIO MO-VB STUDY OF WATER DIMER, Chemical physics, 232(3), 1998, pp. 289-298
NEW BASIS-SET SUPERPOSITION ERROR-FREE AB-INITIO MO-VB INTERACTION POTENTIAL - MOLECULAR-DYNAMICS SIMULATION OF WATER AT CRITICAL AND SUPERCRITICAL CONDITIONS
Authors: FAMULARI A SPECCHIO R SIRONI M RAIMONDI M
Citation: A. Famulari et al., NEW BASIS-SET SUPERPOSITION ERROR-FREE AB-INITIO MO-VB INTERACTION POTENTIAL - MOLECULAR-DYNAMICS SIMULATION OF WATER AT CRITICAL AND SUPERCRITICAL CONDITIONS, The Journal of chemical physics, 108(8), 1998, pp. 3296-3303
IMPLEMENTATION OF GRADIENT-OPTIMIZATION ALGORITHMS AND FORCE-CONSTANTCOMPUTATIONS IN BSSE-FREE DIRECT AND CONVENTIONAL SCF APPROACHES
Authors: FAMULARI A GIANINETTI E RAIMONDI M SIRONI M
Citation: A. Famulari et al., IMPLEMENTATION OF GRADIENT-OPTIMIZATION ALGORITHMS AND FORCE-CONSTANTCOMPUTATIONS IN BSSE-FREE DIRECT AND CONVENTIONAL SCF APPROACHES, International journal of quantum chemistry, 69(2), 1998, pp. 151-158
CISPLATIN-VINDESINE-MITOMYCIN (MVP) VS CISPLATIN-IFOSFAMIDE-VINORELBINE (PIN) VS CARBOPLATIN-VINORELBINE (CAN) IN PATIENTS WITH ADVANCED NON-SMALL-CELL LUNG-CANCER (NSCLC) - A FONICAP RANDOMIZED PHASE-II STUDY
Authors: BALDINI E TIBALDI C ARDIZZONI A SALVATI F ANTILLI A PORTALONE L BARBERA S ROMANO F DEMARINIS F MIGLIORINO MR NOSEDA MA BORGHINI U CRIPPA M FERRARA G RAIMONDI M FIORETTI M BANDERA M PENNUCCI MC GALEASSO G CACCIANI GC LEPIDINI G SUNSERI G LANFRANCO C RINALDI M LIONETTO R CONTE PF ROSSO R
Citation: E. Baldini et al., CISPLATIN-VINDESINE-MITOMYCIN (MVP) VS CISPLATIN-IFOSFAMIDE-VINORELBINE (PIN) VS CARBOPLATIN-VINORELBINE (CAN) IN PATIENTS WITH ADVANCED NON-SMALL-CELL LUNG-CANCER (NSCLC) - A FONICAP RANDOMIZED PHASE-II STUDY, British Journal of Cancer, 77(12), 1998, pp. 2367-2370
THEORETICAL INVESTIGATION OF THIOPHENE OLIGOMERS - A SPIN-COUPLED STUDY
Authors: FORNI A SIRONI M RAIMONDI M COOPER DL GERRATT J
Citation: A. Forni et al., THEORETICAL INVESTIGATION OF THIOPHENE OLIGOMERS - A SPIN-COUPLED STUDY, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(24), 1997, pp. 4437-4443
SPIN-COUPLED VALENCE-BOND STUDY OF THE REACTION BETWEEN BENZENE AND AMETHYL CATION
Authors: RAOS G ASTORRI L RAIMONDI M COOPER DL GERRATT J KARADAKOV PB
Citation: G. Raos et al., SPIN-COUPLED VALENCE-BOND STUDY OF THE REACTION BETWEEN BENZENE AND AMETHYL CATION, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(15), 1997, pp. 2886-2892
CHEMICAL BONDING IN OXOFLUORIDES OF HYPERCOORDINATE SULFUR
Authors: CUNNINGHAM TP COOPER DL GERRATT J KARADAKOV PB RAIMONDI M
Citation: Tp. Cunningham et al., CHEMICAL BONDING IN OXOFLUORIDES OF HYPERCOORDINATE SULFUR, Journal of the Chemical Society. Faraday transactions, 93(13), 1997, pp. 2247-2254
MODERN VALENCE-BOND THEORY
Authors: GERRATT J COOPER DL KARADAKOV PB RAIMONDI M
Citation: J. Gerratt et al., MODERN VALENCE-BOND THEORY, Chemical Society reviews, 26(2), 1997, pp. 87-100
INTERACTION FORCES AND ENERGY-TRANSFER DYNAMICS OF LIH ((1)SIGMA(-ATOMS .1. THE AB-INITIO EVALUATION OF THE LOWEST POTENTIAL-ENERGY SURFACE()) AND HELIUM)
Authors: GIANTURCO FA KUMAR S PATHAK SK RAIMONDI M SIRONI M GERRATT J COOPER DL
Citation: Fa. Gianturco et al., INTERACTION FORCES AND ENERGY-TRANSFER DYNAMICS OF LIH ((1)SIGMA(-ATOMS .1. THE AB-INITIO EVALUATION OF THE LOWEST POTENTIAL-ENERGY SURFACE()) AND HELIUM), Chemical physics, 215(2), 1997, pp. 227-238
INTERACTION FORCES AND ENERGY-TRANSFER DYNAMICS OF LIH ((1)SIGMA(-ATOMS .2. ROTATIONALLY INELASTIC-COLLISIONS AND EXCITATION EFFICIENCY()) AND HELIUM)
Authors: GIANTURCO FA KUMAR S PATHAK SK RAIMONDI M SIRONI M
Citation: Fa. Gianturco et al., INTERACTION FORCES AND ENERGY-TRANSFER DYNAMICS OF LIH ((1)SIGMA(-ATOMS .2. ROTATIONALLY INELASTIC-COLLISIONS AND EXCITATION EFFICIENCY()) AND HELIUM), Chemical physics, 215(2), 1997, pp. 239-252
SYMMETRY ADAPTATION AND THE UTILIZATION OF POINT GROUP SYMMETRY IN VALENCE-BOND CALCULATIONS, INCLUDING CASVB
Authors: THORSTEINSSON T COOPER DL GERRATT J RAIMONDI M
Citation: T. Thorsteinsson et al., SYMMETRY ADAPTATION AND THE UTILIZATION OF POINT GROUP SYMMETRY IN VALENCE-BOND CALCULATIONS, INCLUDING CASVB, Theoretica Chimica Acta, 95(3-4), 1997, pp. 131-150
STUDY OF THE ELECTRONIC STATES OF THE ALLYL RADICAL USING SPIN-COUPLED VALENCE-BOND THEORY
Authors: OLIVA JM GERRATT J COOPER DL KARADAKOV PB RAIMONDI M
Citation: Jm. Oliva et al., STUDY OF THE ELECTRONIC STATES OF THE ALLYL RADICAL USING SPIN-COUPLED VALENCE-BOND THEORY, The Journal of chemical physics, 106(9), 1997, pp. 3663-3672
POLYNOMIAL FILTERING OF DISCRETE-TIME STOCHASTIC LINEAR-SYSTEMS WITH MULTIPLICATIVE STATE NOISE
Authors: CARRAVETTA F GERMANI A RAIMONDI M
Citation: F. Carravetta et al., POLYNOMIAL FILTERING OF DISCRETE-TIME STOCHASTIC LINEAR-SYSTEMS WITH MULTIPLICATIVE STATE NOISE, IEEE transactions on automatic control, 42(8), 1997, pp. 1106-1126
POLYNOMIAL FILTERING FOR LINEAR DISCRETE-TIME NON-GAUSSIAN SYSTEMS
Authors: CARRAVETTA F GERMANI A RAIMONDI M
Citation: F. Carravetta et al., POLYNOMIAL FILTERING FOR LINEAR DISCRETE-TIME NON-GAUSSIAN SYSTEMS, SIAM journal on control and optimization, 34(5), 1996, pp. 1666-1690
MODERN VALENCE-BOND REPRESENTATIONS OF CASSCF WAVE-FUNCTIONS
Authors: THORSTEINSSON T COOPER DL GERRATT J KARADAKOV PB RAIMONDI M
Citation: T. Thorsteinsson et al., MODERN VALENCE-BOND REPRESENTATIONS OF CASSCF WAVE-FUNCTIONS, Theoretica Chimica Acta, 93(6), 1996, pp. 343-366
MODIFICATION OF THE ROOTHAAN EQUATIONS TO EXCLUDE BSSE FROM MOLECULARINTERACTION CALCULATIONS
Authors: GIANINETTI E RAIMONDI M TORNAGHI E
Citation: E. Gianinetti et al., MODIFICATION OF THE ROOTHAAN EQUATIONS TO EXCLUDE BSSE FROM MOLECULARINTERACTION CALCULATIONS, International journal of quantum chemistry, 60(1), 1996, pp. 157-166
OPTIMIZED SPIN-COUPLED VIRTUAL ORBITALS
Authors: RAIMONDI M SIRONI M GERRATT J COOPER DL
Citation: M. Raimondi et al., OPTIMIZED SPIN-COUPLED VIRTUAL ORBITALS, International journal of quantum chemistry, 60(1), 1996, pp. 225-233
Risultati: 1-25 | 26-50 | 51-59