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Results: 1-19 |
Results: 19
AB-INITIO INVESTIGATION OF THE METHYLIMIDAZOLE-INDOLE COMPLEXES AS MODELS OF THE HISTIDINE-TRYPTOPHAN PAIR
Authors: ALAGONA G GHIO C MONTI S
Citation: G. Alagona et al., AB-INITIO INVESTIGATION OF THE METHYLIMIDAZOLE-INDOLE COMPLEXES AS MODELS OF THE HISTIDINE-TRYPTOPHAN PAIR, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(30), 1998, pp. 6152-6160
THE EFFECT OF SMALL SUBSTITUENTS ON THE PROPERTIES OF INDOLE - AN AB-INITIO 6-31G-ASTERISK STUDY
Authors: ALAGONA G GHIO C MONTI S
Citation: G. Alagona et al., THE EFFECT OF SMALL SUBSTITUENTS ON THE PROPERTIES OF INDOLE - AN AB-INITIO 6-31G-ASTERISK STUDY, Journal of molecular structure. Theochem, 433, 1998, pp. 203-216
STABILITY OF A CONSTRAINED PEPTIDE-BASED ANTAGONIST OF NEUROKININ-A, AS DESCRIBED BY AB-INITIO, SEMIEMPIRICAL AND EMPIRICAL CALCULATIONS
Authors: ALAGONA G GHIO C MONTI S
Citation: G. Alagona et al., STABILITY OF A CONSTRAINED PEPTIDE-BASED ANTAGONIST OF NEUROKININ-A, AS DESCRIBED BY AB-INITIO, SEMIEMPIRICAL AND EMPIRICAL CALCULATIONS, Journal of molecular structure. Theochem, 426, 1998, pp. 339-347
AB-INITIO RELATIVE STABILITY OF A FEW CONFORMERS OF BILIRUBIN IN-VACUO AND IN AQUEOUS-SOLUTION (PCM)
Authors: ALAGONA G GHIO C AGRESTI A PRATESI R
Citation: G. Alagona et al., AB-INITIO RELATIVE STABILITY OF A FEW CONFORMERS OF BILIRUBIN IN-VACUO AND IN AQUEOUS-SOLUTION (PCM), International journal of quantum chemistry, 70(2), 1998, pp. 395-405
AB-INITIO EXPLORATIVE SURVEY OF THE MECHANISM CATALYZED BY MANDELATE RACEMASE
Authors: ALAGONA G GHIO C KOLLMAN PA
Citation: G. Alagona et al., AB-INITIO EXPLORATIVE SURVEY OF THE MECHANISM CATALYZED BY MANDELATE RACEMASE, Journal of molecular structure. Theochem, 390, 1997, pp. 217-223
THEORETICAL INVESTIGATIONS ON THE STRUCTURE OF POLY(IMINOMETHYLENES) WITH ALIPHATIC SIDE-CHAINS - CONFORMATIONAL STUDIES AND COMPARISON WITH EXPERIMENTAL SPECTROSCOPIC DATA
Authors: CLERICUZIO M ALAGONA G GHIO C SALVADORI P
Citation: M. Clericuzio et al., THEORETICAL INVESTIGATIONS ON THE STRUCTURE OF POLY(IMINOMETHYLENES) WITH ALIPHATIC SIDE-CHAINS - CONFORMATIONAL STUDIES AND COMPARISON WITH EXPERIMENTAL SPECTROSCOPIC DATA, Journal of the American Chemical Society, 119(5), 1997, pp. 1059-1071
THE EFFECT OF INTRAMOLECULAR H-BONDS ON THE AQUEOUS-SOLUTION CONTINUUM DESCRIPTION OF THE N-PROTONATED FORM OF DOPAMINE
Authors: ALAGONA G GHIO C
Citation: G. Alagona et C. Ghio, THE EFFECT OF INTRAMOLECULAR H-BONDS ON THE AQUEOUS-SOLUTION CONTINUUM DESCRIPTION OF THE N-PROTONATED FORM OF DOPAMINE, Chemical physics, 204(2-3), 1996, pp. 239-249
CHEMICAL-REACTION MECHANISMS IN-VACUO, IN SOLUTION AND IN ENZYME FIELDS - ISOMERIZATION CATALYZED BY TRIOSE PHOSPHATE ISOMERASE (TIM)
Authors: ALAGONA G GHIO C KOLLMAN PA
Citation: G. Alagona et al., CHEMICAL-REACTION MECHANISMS IN-VACUO, IN SOLUTION AND IN ENZYME FIELDS - ISOMERIZATION CATALYZED BY TRIOSE PHOSPHATE ISOMERASE (TIM), Journal of molecular structure. Theochem, 371, 1996, pp. 287-298
TENTATIVE COMPUTATIONAL EVALUATION OF THE ACIDIC STRENGTH OF ORGANIC-ACIDS AND ALCOHOLS
Authors: ALAGONA G GHIO C
Citation: G. Alagona et C. Ghio, TENTATIVE COMPUTATIONAL EVALUATION OF THE ACIDIC STRENGTH OF ORGANIC-ACIDS AND ALCOHOLS, Gazzetta chimica italiana, 126(7), 1996, pp. 435-439
BASIS-SET SUPERPOSITION ERRORS FOR SLATER VS GAUSSIAN-BASIS FUNCTIONSIN H-BOND INTERACTIONS
Authors: ALAGONA G GHIO C
Citation: G. Alagona et C. Ghio, BASIS-SET SUPERPOSITION ERRORS FOR SLATER VS GAUSSIAN-BASIS FUNCTIONSIN H-BOND INTERACTIONS, Journal of molecular structure. Theochem, 330, 1995, pp. 77-83
4-DIAZINYLIMIDAZOLES AND 4-PYRIDINYLIMIDAZOLES - POTENT ANGIOTENSIN-II ANTAGONISTS - A STUDY OF THEIR ACTIVITY AND COMPUTATIONAL CHARACTERIZATION
Authors: HARMAT NJS GIORGI R BONACCORSI F CERBAI G COLOMBANI SM RENZETTI AR CIRILLO R SUBISSI A ALAGONA G GHIO C ARCAMONE F GIACHETTI A PALEARI F SALIMBENI A
Citation: Njs. Harmat et al., 4-DIAZINYLIMIDAZOLES AND 4-PYRIDINYLIMIDAZOLES - POTENT ANGIOTENSIN-II ANTAGONISTS - A STUDY OF THEIR ACTIVITY AND COMPUTATIONAL CHARACTERIZATION, Journal of medicinal chemistry, 38(15), 1995, pp. 2925-2937
DO ENZYMES STABILIZE TRANSITION-STATES BY ELECTROSTATIC INTERACTIONS OR PK(A) BALANCE - THE CASE OF TRIOSE PHOSPHATE ISOMERASE (TIM)
Authors: ALAGONA G GHIO C KOLLMAN PA
Citation: G. Alagona et al., DO ENZYMES STABILIZE TRANSITION-STATES BY ELECTROSTATIC INTERACTIONS OR PK(A) BALANCE - THE CASE OF TRIOSE PHOSPHATE ISOMERASE (TIM), Journal of the American Chemical Society, 117(39), 1995, pp. 9855-9862
N-ALLYLPYRROLE AS A BIFUNCTIONAL PRECURSOR TO ELECTRICALLY CONDUCTINGAND FILMABLE ORGANIC POLYMERS - SYNTHESIS AND PRELIMINARY CHARACTERIZATION
Authors: ALAGONA G GHIO C CAVAZZA M NUCCI L PERGOLA F COLLIGIANI A
Citation: G. Alagona et al., N-ALLYLPYRROLE AS A BIFUNCTIONAL PRECURSOR TO ELECTRICALLY CONDUCTINGAND FILMABLE ORGANIC POLYMERS - SYNTHESIS AND PRELIMINARY CHARACTERIZATION, Synthetic metals, 67(1-3), 1994, pp. 235-239
STABILITY AND ACIDITY OF SALICYLIC-ACID ROTAMERS IN AQUEOUS-SOLUTION - A CONTINUOUS MODEL STUDY
Authors: ALAGONA G GHIO C
Citation: G. Alagona et C. Ghio, STABILITY AND ACIDITY OF SALICYLIC-ACID ROTAMERS IN AQUEOUS-SOLUTION - A CONTINUOUS MODEL STUDY, Journal of molecular liquids, 61(1-3), 1994, pp. 1-16
CONFORMATIONAL PREFERENCES OF A FEW ENKEPHALIN UNSATURATED ANALOGS
Authors: ALAGONA G CIUFFO GM GHIO C
Citation: G. Alagona et al., CONFORMATIONAL PREFERENCES OF A FEW ENKEPHALIN UNSATURATED ANALOGS, Journal of molecular structure. Theochem, 117, 1994, pp. 255-272
THEORETICAL-STUDIES ON THE RELATIVE STABILITY OF NEUTRAL AND PROTONATED N,N'-DIARYLGUANIDINES IN AQUEOUS-SOLUTION USING CONTINUUM SOLVENT MODELS
Authors: ALAGONA G GHIO C NAGY PI DURANT GJ
Citation: G. Alagona et al., THEORETICAL-STUDIES ON THE RELATIVE STABILITY OF NEUTRAL AND PROTONATED N,N'-DIARYLGUANIDINES IN AQUEOUS-SOLUTION USING CONTINUUM SOLVENT MODELS, Journal of physical chemistry, 98(21), 1994, pp. 5422-5430
AH INITIO STUDIES OF FREE AND MONOHYDRATED CARBOXYLIC-ACIDS IN THE GAS-PHASE
Authors: NAGY PI SMITH DA ALAGONA G GHIO C
Citation: Pi. Nagy et al., AH INITIO STUDIES OF FREE AND MONOHYDRATED CARBOXYLIC-ACIDS IN THE GAS-PHASE, Journal of physical chemistry, 98(2), 1994, pp. 486-493
THEORETICAL-STUDY IN VACUO OF THE FIRST STEP OF THE REVERSIBLE ALDOL CLEAVAGE CATALYZED BY ALDOLASE FROM RABBIT MUSCLE
Authors: ALAGONA G GHIO C
Citation: G. Alagona et C. Ghio, THEORETICAL-STUDY IN VACUO OF THE FIRST STEP OF THE REVERSIBLE ALDOL CLEAVAGE CATALYZED BY ALDOLASE FROM RABBIT MUSCLE, Journal of molecular structure. Theochem, 106, 1993, pp. 253-259
THEORETICAL-STUDIES OF THE 2-HYDROXYBENZOIC AND 4-HYDROXYBENZOIC ACIDS WITH COMPETING HYDROGEN-BONDS IN THE GAS-PHASE AND AQUEOUS-SOLUTION
Authors: NAGY PI DUNN WJ ALAGONA G GHIO C
Citation: Pi. Nagy et al., THEORETICAL-STUDIES OF THE 2-HYDROXYBENZOIC AND 4-HYDROXYBENZOIC ACIDS WITH COMPETING HYDROGEN-BONDS IN THE GAS-PHASE AND AQUEOUS-SOLUTION, Journal of physical chemistry, 97(18), 1993, pp. 4628-4642
Risultati: 1-19 |