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Results:
1-9
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Results: 9
Authors:
TUNON I
SILLA E
MILLOT C
MARTINSCOSTA MTC
RUIZLOPEZ MF
Citation: I. Tunon et al., INTRAMOLECULAR PROTON-TRANSFER OF GLYCINE IN AQUEOUS-SOLUTION USING QUANTUM MECHANICS-MOLECULAR MECHANICS SIMULATIONS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(45), 1998, pp. 8673-8678
Authors:
LI GS
MARTINSCOSTA MTC
MILLOT C
RUIZLOPEZ MF
Citation: Gs. Li et al., AM1 TIP3P MOLECULAR-DYNAMICS SIMULATION OF IMIDAZOLE PROTON-RELAY PROCESSES IN AQUEOUS-SOLUTION/, Chemical physics letters, 297(1-2), 1998, pp. 38-44
Authors:
TUNON I
MARTINSCOSTA MTC
MILLOT C
RUIZLOPEZ MF
Citation: I. Tunon et al., MOLECULAR-DYNAMICS SIMULATIONS OF ELEMENTARY CHEMICAL PROCESSES IN LIQUID WATER USING COMBINED DENSITY-FUNCTIONAL AND MOLECULAR MECHANICS POTENTIALS .1. PROTON-TRANSFER IN STRONGLY H-BONDED COMPLEXES, The Journal of chemical physics, 106(9), 1997, pp. 3633-3642
Authors:
STRNAD M
MARTINSCOSTA MTC
MILLOT C
TUNON I
RUIZLOPEZ MF
RIVAIL JL
Citation: M. Strnad et al., MOLECULAR-DYNAMICS SIMULATIONS OF ELEMENTARY CHEMICAL PROCESSES IN LIQUID WATER USING COMBINED DENSITY-FUNCTIONAL AND MOLECULAR MECHANICS POTENTIALS .2. CHARGE SEPARATION PROCESSES, The Journal of chemical physics, 106(9), 1997, pp. 3643-3657
Authors:
TUNON I
MARTINSCOSTA MTC
MILLOT C
RUIZLOPEZ MF
RIVAIL JL
Citation: I. Tunon et al., A COUPLED DENSITY FUNCTIONAL-MOLECULAR MECHANICS MONTE-CARLO SIMULATION METHOD - THE WATER MOLECULE IN LIQUID WATER, Journal of computational chemistry, 17(1), 1996, pp. 19-29
Authors:
CARTIER A
MARTINSCOSTA MTC
RINALDI D
Citation: A. Cartier et al., COMPUTATION OF ELECTRONIC MOLECULAR POLARIZABILITIES BY A VARIATIONALMETHOD AT THE CISD LEVEL, International journal of quantum chemistry, 60(4), 1996, pp. 883-895
Authors:
TUNON I
MARTINSCOSTA MTC
MILLOT C
RUIZLOPEZ MF
Citation: I. Tunon et al., A HYBRID DENSITY-FUNCTIONAL CLASSICAL MOLECULAR-DYNAMICS SIMULATION OF A WATER MOLECULE IN LIQUID WATER, JOURNAL OF MOLECULAR MODELING, 1(4), 1995, pp. 196-201
Authors:
TUNON I
MARTINSCOSTA MTC
MILLOT C
RUIZLOPEZ MF
Citation: I. Tunon et al., COUPLED DENSITY FUNCTIONAL MOLECULAR MECHANICS MONTE-CARLO SIMULATIONS OF IONS IN WATER - THE BROMIDE ION/, Chemical physics letters, 241(4), 1995, pp. 450-456
Authors:
RUIZLOPEZ MF
BOHR F
MARTINSCOSTA MTC
RINALDI D
Citation: Mf. Ruizlopez et al., STUDIES OF SOLVENT EFFECTS USING DENSITY-FUNCTIONAL THEORY - COOPERATIVE INTERACTIONS IN H3N...HBR PROTON-TRANSFER, Chemical physics letters, 221(1-2), 1994, pp. 109-116
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1-9
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