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Results: 1-18 |
Results: 18
THEORETICAL-STUDY OF THE ROLE OF ARGININE-127 IN THE WATER-PROMOTED MECHANISM OF PEPTIDE CLEAVAGE BY CARBOXYPEPTIDASE-A
Authors: ALVAREZSANTOS S GONZALEZLAFONT A LLUCH JM OLIVA B AVILES FX
Citation: S. Alvarezsantos et al., THEORETICAL-STUDY OF THE ROLE OF ARGININE-127 IN THE WATER-PROMOTED MECHANISM OF PEPTIDE CLEAVAGE BY CARBOXYPEPTIDASE-A, New journal of chemistry, 22(4), 1998, pp. 319-325
VARIATIONAL TRANSITION-STATE THEORY AND TUNNELING CALCULATIONS WITH REORIENTATION OF THE GENERALIZED TRANSITION-STATES FOR METHYL CATION TRANSFER
Authors: GONZALEZLAFONT A VILLA J LLUCH JM BERTRAN J STECKLER R TRUHLAR DG
Citation: A. Gonzalezlafont et al., VARIATIONAL TRANSITION-STATE THEORY AND TUNNELING CALCULATIONS WITH REORIENTATION OF THE GENERALIZED TRANSITION-STATES FOR METHYL CATION TRANSFER, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(19), 1998, pp. 3420-3428
EFFECT OF THE HYDROGEN-BOND NETWORK IN CARBONIC-ANHYDRASE II ZINC-BINDING SITE - A THEORETICAL-STUDY
Authors: ALVAREZSANTOS S GONZALEZLAFONT A LLUCH JM
Citation: S. Alvarezsantos et al., EFFECT OF THE HYDROGEN-BOND NETWORK IN CARBONIC-ANHYDRASE II ZINC-BINDING SITE - A THEORETICAL-STUDY, Canadian journal of chemistry, 76(7), 1998, pp. 1027-1032
EXPLANATION OF DEUTERIUM AND MUONIUM KINETIC ISOTOPE EFFECTS FOR HYDROGEN-ATOM ADDITION TO AN OLEFIN
Authors: VILLA J CORCHADO JC GONZALEZLAFONT A LLUCH JM TRUHLAR DG
Citation: J. Villa et al., EXPLANATION OF DEUTERIUM AND MUONIUM KINETIC ISOTOPE EFFECTS FOR HYDROGEN-ATOM ADDITION TO AN OLEFIN, Journal of the American Chemical Society, 120(46), 1998, pp. 12141-12142
TEMPERATURE-DEPENDENCE OF PROTON NMR CHEMICAL-SHIFT AS A CRITERION TOIDENTIFY LOW-BARRIER HYDROGEN-BONDS
Authors: GARCIAVILOCA M GELABERT R GONZALEZLAFONT A MORENO M LLUCH JM
Citation: M. Garciaviloca et al., TEMPERATURE-DEPENDENCE OF PROTON NMR CHEMICAL-SHIFT AS A CRITERION TOIDENTIFY LOW-BARRIER HYDROGEN-BONDS, Journal of the American Chemical Society, 120(39), 1998, pp. 10203-10209
ENTROPIC EFFECTS ON THE DYNAMICAL BOTTLENECK LOCATION AND TUNNELING CONTRIBUTIONS FOR C2H4-]C2H5 - VARIABLE SCALING OF EXTERNAL CORRELATION-ENERGY FOR ASSOCIATION REACTIONS(H)
Authors: VILLA J GONZALEZLAFONT A LLUCH JM TRUHLAR DG
Citation: J. Villa et al., ENTROPIC EFFECTS ON THE DYNAMICAL BOTTLENECK LOCATION AND TUNNELING CONTRIBUTIONS FOR C2H4-]C2H5 - VARIABLE SCALING OF EXTERNAL CORRELATION-ENERGY FOR ASSOCIATION REACTIONS(H), Journal of the American Chemical Society, 120(22), 1998, pp. 5559-5567
IS AN EXTREMELY LOW-FIELD PROTON SIGNAL IN THE NMR-SPECTRUM CONCLUSIVE EVIDENCE FOR A LOW-BARRIER HYDROGEN-BOND
Authors: GARCIAVILOCA M GELABERT R GONZALEZLAFONT A MORENO M LLUCH JM
Citation: M. Garciaviloca et al., IS AN EXTREMELY LOW-FIELD PROTON SIGNAL IN THE NMR-SPECTRUM CONCLUSIVE EVIDENCE FOR A LOW-BARRIER HYDROGEN-BOND, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(46), 1997, pp. 8727-8733
ON PK(A) MATCHING AS A REQUIREMENT TO FORM A LOW-BARRIER HYDROGEN-BOND - A THEORETICAL-STUDY IN GAS-PHASE
Authors: GARCIAVILOCA M GONZALEZLAFONT A LLUCH JM
Citation: M. Garciaviloca et al., ON PK(A) MATCHING AS A REQUIREMENT TO FORM A LOW-BARRIER HYDROGEN-BOND - A THEORETICAL-STUDY IN GAS-PHASE, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(21), 1997, pp. 3880-3886
THEORETICAL-STUDY OF THE UNIMOLECULAR DISSOCIATION OF THE ACETONE CATION-RADICAL
Authors: CENO MD GONZALEZLAFONT A LLUCH JM BERTRAN J
Citation: Md. Ceno et al., THEORETICAL-STUDY OF THE UNIMOLECULAR DISSOCIATION OF THE ACETONE CATION-RADICAL, Molecular physics, 92(3), 1997, pp. 393-398
UNDERSTANDING THE ACTIVATION-ENERGY TRENDS FOR THE C2H4-]C2H4OH REACTION BY USING CANONICAL VARIATIONAL TRANSITION-STATE THEORY(OH)
Authors: VILLA J GONZALEZLAFONT A LLUCH JM CORCHADO JC ESPINOSAGARCIA J
Citation: J. Villa et al., UNDERSTANDING THE ACTIVATION-ENERGY TRENDS FOR THE C2H4-]C2H4OH REACTION BY USING CANONICAL VARIATIONAL TRANSITION-STATE THEORY(OH), The Journal of chemical physics, 107(18), 1997, pp. 7266-7274
THEORETICAL-STUDY OF THE LOW-BARRIER HYDROGEN-BOND IN THE HYDROGEN MALEATE ANION IN THE GAS-PHASE - COMPARISON WITH NORMAL HYDROGEN-BONDS
Authors: GARCIAVILOCA M GONZALEZLAFONT A LLUCH JM
Citation: M. Garciaviloca et al., THEORETICAL-STUDY OF THE LOW-BARRIER HYDROGEN-BOND IN THE HYDROGEN MALEATE ANION IN THE GAS-PHASE - COMPARISON WITH NORMAL HYDROGEN-BONDS, Journal of the American Chemical Society, 119(5), 1997, pp. 1081-1086
THEORETICAL-STUDY OF THE MECHANISM OF CARBOXYPEPTIDASE-A INHIBITION BY ZINC IONS
Authors: ALVAREZSANTOS S GONZALEZLAFONT A LLUCH JM
Citation: S. Alvarezsantos et al., THEORETICAL-STUDY OF THE MECHANISM OF CARBOXYPEPTIDASE-A INHIBITION BY ZINC IONS, New journal of chemistry, 20(9), 1996, pp. 979-984
ON THE INTERPOLATION OF THE FREQUENCIES OF VIBRATIONAL-MODES IN VARIATIONAL TRANSITION-STATE CALCULATIONS - AN ADIABATIC OR DIABATIC SCHEME
Authors: VILLA J GONZALEZLAFONT A LLUCH JM BERTRAN J
Citation: J. Villa et al., ON THE INTERPOLATION OF THE FREQUENCIES OF VIBRATIONAL-MODES IN VARIATIONAL TRANSITION-STATE CALCULATIONS - AN ADIABATIC OR DIABATIC SCHEME, Molecular physics, 89(2), 1996, pp. 633-644
KINETIC ISOTOPE EFFECTS AS TOOLS TO REVEAL SOLVATION CHANGES ACCOMPANYING A PROTON-TRANSFER - A CANONICAL UNIFIED STATISTICAL-THEORY CALCULATION
Authors: VILLA J GONZALEZLAFONT A LLUCH JM
Citation: J. Villa et al., KINETIC ISOTOPE EFFECTS AS TOOLS TO REVEAL SOLVATION CHANGES ACCOMPANYING A PROTON-TRANSFER - A CANONICAL UNIFIED STATISTICAL-THEORY CALCULATION, Journal of physical chemistry, 100(50), 1996, pp. 19389-19397
CHOICE OF THE REACTION COORDINATE IN ELECTRON-TRANSFER REACTIONS IN SOLUTION
Authors: PEREZ V GONZALEZLAFONT A LLUCH JM BERTRAN J
Citation: V. Perez et al., CHOICE OF THE REACTION COORDINATE IN ELECTRON-TRANSFER REACTIONS IN SOLUTION, Journal of the Chemical Society. Faraday transactions, 91(10), 1995, pp. 1451-1455
ON THE INTRAMOLECULAR PROTON TRANSFERS IN N,N'-BIS(SALICYLIDENE)-P-PHENYLENEDIAMINE
Authors: ALVAREZSANTOS S GONZALEZLAFONT A LLUCH JM
Citation: S. Alvarezsantos et al., ON THE INTRAMOLECULAR PROTON TRANSFERS IN N,N'-BIS(SALICYLIDENE)-P-PHENYLENEDIAMINE, New journal of chemistry, 18(8-9), 1994, pp. 873-877
ON THE WATER-PROMOTED MECHANISM OF PEPTIDE CLEAVAGE BY CARBOXYPEPTIDASE-A - A THEORETICAL-STUDY
Authors: ALVAREZSANTOS S GONZALEZLAFONT A LLUCH JM OLIVA B AVILES FX
Citation: S. Alvarezsantos et al., ON THE WATER-PROMOTED MECHANISM OF PEPTIDE CLEAVAGE BY CARBOXYPEPTIDASE-A - A THEORETICAL-STUDY, Canadian journal of chemistry, 72(10), 1994, pp. 2077-2083
DIRECT DYNAMICS CALCULATION OF THE KINETIC ISOTOPE EFFECT FOR AN ORGANIC HYDROGEN-TRANSFER REACTION, INCLUDING CORNER-CUTTING TUNNELING IN 21 DIMENSIONS
Authors: LIU YP LU DH GONZALEZLAFONT A TRUHLAR DG GARRETT BC
Citation: Yp. Liu et al., DIRECT DYNAMICS CALCULATION OF THE KINETIC ISOTOPE EFFECT FOR AN ORGANIC HYDROGEN-TRANSFER REACTION, INCLUDING CORNER-CUTTING TUNNELING IN 21 DIMENSIONS, Journal of the American Chemical Society, 115(17), 1993, pp. 7806-7817
Risultati: 1-18 |