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Results: 1-10 |
Results: 10
THE SOLVENT-EXCLUDING SURFACE AS A DESCRIPTOR OF IONIC CHANNELS - GRAMICIDIN-A
Authors: PASCUALAHUIR JL SILLA E TUNON I
Citation: Jl. Pascualahuir et al., THE SOLVENT-EXCLUDING SURFACE AS A DESCRIPTOR OF IONIC CHANNELS - GRAMICIDIN-A, Journal of molecular structure. Theochem, 426, 1998, pp. 331-338
AMINO-ACID ZWITTERIONS IN SOLUTION - GEOMETRIC, ENERGETIC, AND VIBRATIONAL ANALYSIS USING DENSITY-FUNCTIONAL THEORY CONTINUUM MODEL-CALCULATIONS
Authors: TORTONDA FR PASCUALAHUIR JL SILLA E TUNON I RAMIREZ FJ
Citation: Fr. Tortonda et al., AMINO-ACID ZWITTERIONS IN SOLUTION - GEOMETRIC, ENERGETIC, AND VIBRATIONAL ANALYSIS USING DENSITY-FUNCTIONAL THEORY CONTINUUM MODEL-CALCULATIONS, The Journal of chemical physics, 109(2), 1998, pp. 592-602
NEUTRAL AND ALKALINE HYDROLYZES OF MODEL BETA-LACTAM ANTIBIOTICS - A AB-INITIO STUDY OF WATER CATALYSIS
Authors: PITARCH J RUIZLOPEZ MF SILLA E PASCUALAHUIR JL TUNON I
Citation: J. Pitarch et al., NEUTRAL AND ALKALINE HYDROLYZES OF MODEL BETA-LACTAM ANTIBIOTICS - A AB-INITIO STUDY OF WATER CATALYSIS, Journal of the American Chemical Society, 120(9), 1998, pp. 2146-2155
AB-INITIO CALCULATIONS ON NEUTRAL AND ALKALINE HYDROLYZES OF BETA-LACTAM ANTIBIOTICS - A THEORETICAL-STUDY INCLUDING SOLVENT EFFECTS
Authors: PITARCH J RUIZLOPEZ MF PASCUALAHUIR JL SILLA E TUNON I
Citation: J. Pitarch et al., AB-INITIO CALCULATIONS ON NEUTRAL AND ALKALINE HYDROLYZES OF BETA-LACTAM ANTIBIOTICS - A THEORETICAL-STUDY INCLUDING SOLVENT EFFECTS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(18), 1997, pp. 3581-3588
CORRELATION-EFFECTS IN PROTON-TRANSFER REACTIONS IN SOLUTION
Authors: TUNON I TORTONDA FR PASCUALAHUIR JL SILLA E
Citation: I. Tunon et al., CORRELATION-EFFECTS IN PROTON-TRANSFER REACTIONS IN SOLUTION, Journal of molecular structure. Theochem, 371, 1996, pp. 117-121
WHY IS GLYCINE A ZWITTERION IN AQUEOUS-SOLUTION - A THEORETICAL-STUDYOF SOLVENT STABILIZING FACTORS
Authors: TORTONDA FR PASCUALAHUIR JL SILLA E TUNON I
Citation: Fr. Tortonda et al., WHY IS GLYCINE A ZWITTERION IN AQUEOUS-SOLUTION - A THEORETICAL-STUDYOF SOLVENT STABILIZING FACTORS, Chemical physics letters, 260(1-2), 1996, pp. 21-26
SOLVENT EFFECTS ON THE THERMODYNAMICS AND KINETICS OF THE PROTON-TRANSFER BETWEEN HYDRONIUM ION AND AMMONIA - A THEORETICAL-STUDY USING THECONTINUUM AND THE DISCRETE MODELS
Authors: TORTONDA FR PASCUALAHUIR JL SILLA E TUNON I
Citation: Fr. Tortonda et al., SOLVENT EFFECTS ON THE THERMODYNAMICS AND KINETICS OF THE PROTON-TRANSFER BETWEEN HYDRONIUM ION AND AMMONIA - A THEORETICAL-STUDY USING THECONTINUUM AND THE DISCRETE MODELS, Journal of physical chemistry, 99(33), 1995, pp. 12525-12528
GEPOL - AN IMPROVED DESCRIPTION OF MOLECULAR-SURFACES .3. A NEW ALGORITHM FOR THE COMPUTATION OF A SOLVENT-EXCLUDING SURFACE
Authors: PASCUALAHUIR JL SILLA E TUNON I
Citation: Jl. Pascualahuir et al., GEPOL - AN IMPROVED DESCRIPTION OF MOLECULAR-SURFACES .3. A NEW ALGORITHM FOR THE COMPUTATION OF A SOLVENT-EXCLUDING SURFACE, Journal of computational chemistry, 15(10), 1994, pp. 1127-1138
EVALUATION OF TRANSFER FREE-ENERGIES
Authors: TUNON I SILLA E PASCUALAHUIR JL
Citation: I. Tunon et al., EVALUATION OF TRANSFER FREE-ENERGIES, Journal of physical chemistry, 98(2), 1994, pp. 377-379
PROTON-TRANSFER BETWEEN WATER-MOLECULES - A THEORETICAL-STUDY OF SOLVENT EFFECTS USING THE CONTINUUM AND THE DISCRETE CONTINUUM MODELS
Authors: TORTONDA FR PASCUALAHUIR JL SILLA E TUNON I
Citation: Fr. Tortonda et al., PROTON-TRANSFER BETWEEN WATER-MOLECULES - A THEORETICAL-STUDY OF SOLVENT EFFECTS USING THE CONTINUUM AND THE DISCRETE CONTINUUM MODELS, Journal of physical chemistry, 97(42), 1993, pp. 11087-11091
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