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Results: 1-25/69
Authors:
OROZCO M
HERNANDEZ B
LUQUE FJ
Citation: M. Orozco et al., TAUTOMERISM OF 1-METHYL DERIVATIVES OF URACIL, THYMINE, AND 5-BROMOURACIL - IS TAUTOMERISM THE BASIS FOR THE MUTAGENICITY OF 5-BROMOURIDINE, JOURNAL OF PHYSICAL CHEMISTRY B, 102(26), 1998, pp. 5228-5233
DIMERIZATION OF CARBOXYLIC-ACIDS - RELIABILITY OF THEORETICAL CALCULATIONS AND THE EFFECT OF SOLVENT
Authors:
COLOMINAS C
TEIXIDO J
CEMELI J
LUQUE FJ
OROZCO M
Citation: C. Colominas et al., DIMERIZATION OF CARBOXYLIC-ACIDS - RELIABILITY OF THEORETICAL CALCULATIONS AND THE EFFECT OF SOLVENT, JOURNAL OF PHYSICAL CHEMISTRY B, 102(12), 1998, pp. 2269-2276
Authors:
LUQUE FJ
LOPEZ JM
DELAPAZ ML
VICENT C
OROZCO M
Citation: Fj. Luque et al., ROLE OF INTRAMOLECULAR HYDROGEN-BONDS IN THE INTERMOLECULAR HYDROGEN-BONDING OF CARBOHYDRATES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(33), 1998, pp. 6690-6696
Authors:
GARCIA RG
BACHI A
ERITJA R
LUQUE FJ
OROZCO M
Citation: Rg. Garcia et al., TRIPLE-HELIX STABILIZATION PROPERTIES OF OLIGONUCLEOTIDES CONTAINING 8-AMINO-2'-DEOXYGUANOSINE, Bioorganic & medicinal chemistry letters, 8(21), 1998, pp. 3011-3016
Authors:
BARRIL X
ALEMAN C
OROZCO M
LUQUE FJ
Citation: X. Barril et al., SALT BRIDGE INTERACTIONS - STABILITY OF THE IONIC AND NEUTRAL COMPLEXES IN THE GAS-PHASE, IN SOLUTION, AND IN PROTEINS, Proteins, 32(1), 1998, pp. 67-79
Authors:
LUQUE FJ
OROZCO M
Citation: Fj. Luque et M. Orozco, POLARIZATION EFFECTS IN GENERALIZED MOLECULAR INTERACTION POTENTIAL -NEW HAMILTONIAN FOR REACTIVITY STUDIES AND MIXED QM MM CALCULATIONS/, Journal of computational chemistry, 19(8), 1998, pp. 866-881
Authors:
CUBERO E
LUQUE FJ
OROZCO M
Citation: E. Cubero et al., IS POLARIZATION IMPORTANT IN CATION-PI INTERACTIONS, Proceedings of the National Academy of Sciences of the United Statesof America, 95(11), 1998, pp. 5976-5980
Authors:
CUBERO E
OROZCO M
LUQUE FJ
Citation: E. Cubero et al., AZIDOAZOMETHINE-TETRAZOLE ISOMERISM IN SOLUTION - A THERMOCHEMICAL STUDY, Journal of organic chemistry, 63(7), 1998, pp. 2354-2356
Authors:
COLOMINAS C
OROZCO M
LUQUE FJ
BORRELL JI
TEIXIDO J
Citation: C. Colominas et al., A-PRIORI PREDICTION OF SUBSTITUENT AND SOLVENT EFFECTS IN THE BASICITY OF NITRILES, Journal of organic chemistry, 63(15), 1998, pp. 4947-4953
Authors:
LUISI B
OROZCO M
SPONER J
LUQUE FJ
SHAKKED Z
Citation: B. Luisi et al., ON THE POTENTIAL ROLE OF THE AMINO NITROGEN ATOM AS A HYDROGEN-BOND ACCEPTOR IN MACROMOLECULES, Journal of Molecular Biology, 279(5), 1998, pp. 1123-1136
Authors:
LUQUE FJ
PASTERIS JD
WOPENKA B
RODAS M
BARRENECHEA JF
Citation: Fj. Luque et al., NATURAL FLUID-DEPOSITED GRAPHITE - MINERALOGICAL CHARACTERISTICS AND MECHANISMS OF FORMATION, American journal of science, 298(6), 1998, pp. 471-498
Authors:
SOLIVA R
LAUGHTON CA
LUQUE FJ
OROZCO M
Citation: R. Soliva et al., MOLECULAR-DYNAMICS SIMULATIONS IN AQUEOUS-SOLUTION OF TRIPLE HELICES CONTAINING D(G-CENTER-DOT-C-CENTER-DOT-C) TRIOS, Journal of the American Chemical Society, 120(44), 1998, pp. 11226-11233
Authors:
CUBERO E
OROZCO M
LUQUE FJ
Citation: E. Cubero et al., THEORETICAL-STUDY OF AZIDO-TETRAZOLE ISOMERISM - EFFECT OF SOLVENT AND SUBSTITUENTS AND MECHANISM OF ISOMERIZATION, Journal of the American Chemical Society, 120(19), 1998, pp. 4723-4731
Authors:
LUQUE FJ
OROZCO M
Citation: Fj. Luque et M. Orozco, SEMICLASSICAL-CONTINUUM APPROACH TO THE ELECTROSTATIC FREE-ENERGY OF SOLVATION, JOURNAL OF PHYSICAL CHEMISTRY B, 101(28), 1997, pp. 5573-5582
Authors:
ALHAMBRA C
LUQUE FJ
GAGO F
OROZCO M
Citation: C. Alhambra et al., AB-INITIO STUDY OF STACKING INTERACTIONS IN A-DNA AND B-DNA, JOURNAL OF PHYSICAL CHEMISTRY B, 101(19), 1997, pp. 3846-3853
Authors:
SOLIVA R
LUQUE FJ
OROZCO M
Citation: R. Soliva et al., RELIABILITY OF MEP AND MEP-DERIVED PROPERTIES COMPUTED FROM DFT METHODS FOR MOLECULES CONTAINING P, S AND CL, Theoretical chemistry accounts, 98(1), 1997, pp. 42-49
Authors:
LUQUE FJ
LOPEZBES JM
CEMELI J
AROZTEGUI M
OROZCO M
Citation: Fj. Luque et al., SOLVENT EFFECTS ON TAUTOMERISM EQUILIBRIA IN HETEROCYCLES, Theoretical chemistry accounts, 96(2), 1997, pp. 105-113
Authors:
HERNANDEZ B
OROZCO M
LUQUE FJ
Citation: B. Hernandez et al., ROLE OF THE TAUTOMERISM OF 2-AZAADENINE AND 2-AZAHYPOXANTHINE IN SUBSTRATE RECOGNITION BY XANTHINE-OXIDASE, Journal of computer-aided molecular design, 11(2), 1997, pp. 153-162
Authors:
OROZCO M
VEGA C
PARRAGA A
GARCIASAEZ I
COLL M
WALSH S
MANTLE TJ
LUQUE FJ
Citation: M. Orozco et al., ON THE REACTION-MECHANISM OF CLASS-PI GLUTATHIONE-S-TRANSFERASE, Proteins, 28(4), 1997, pp. 530-542
Authors:
ALEMAN C
ROCA R
LUQUE FJ
OROZCO M
Citation: C. Aleman et al., HELICAL PREFERENCES OF ALANINE, GLYCINE, AND AMINOISOBUTYRIC HOMOPEPTIDES, Proteins, 28(1), 1997, pp. 83-93
Authors:
SOLIVA R
OROZCO M
LUQUE FJ
Citation: R. Soliva et al., SUITABILITY OF DENSITY-FUNCTIONAL METHODS FOR CALCULATION OF ELECTROSTATIC PROPERTIES, Journal of computational chemistry, 18(8), 1997, pp. 980-991
Authors:
ALONSOAZCARATE J
ARCHE A
BARRENECHEA JF
LOPEZGOMEZ J
LUQUE FJ
RODAS M
Citation: J. Alonsoazcarate et al., PALEOGEOGRAPHIC SIGNIFICANCE OF CLAY MINERAL ASSEMBLAGES IN THE PERMIAN AND TRIASSIC SEDIMENTS OF THE SE IBERIAN RANGES, EASTERN SPAIN, Palaeogeography, palaeoclimatology, palaeoecology, 136(1-4), 1997, pp. 309-330
Authors:
LUQUE FJ
BOFILL JM
OROZCO M
Citation: Fj. Luque et al., COMMENT ON NEW STRATEGIES TO INCORPORATE THE SOLVENT POLARIZATION IN SELF-CONSISTENT REACTION FIELD AND FREE-ENERGY PERTURBATION SIMULATIONS - RESPONSE, The Journal of chemical physics, 107(4), 1997, pp. 1293-1294
Authors:
OROZCO M
LUQUE FJ
Citation: M. Orozco et Fj. Luque, GENERALIZED LINEAR-RESPONSE APPROXIMATION IN DISCRETE METHODS, Chemical physics letters, 265(3-5), 1997, pp. 473-480
Authors:
BARRENECHEA JF
LUQUE FJ
RODAS M
PASTERIS JD
Citation: Jf. Barrenechea et al., VEIN-TYPE GRAPHITE IN JURASSIC VOLCANIC-ROCKS OF THE EXTERNAL ZONE OFTHE BETIC CORDILLERA, SOUTHERN SPAIN, Canadian Mineralogist, 35, 1997, pp. 1379-1390