Citation: J. Mestres et M. Sola, DIELS-ALDER CYCLOADDITIONS OF 1,3-BUTADIENE TO POLYCYCLIC AROMATIC-HYDROCARBONS (PAH) - QUANTIFYING THE REACTIVITY LIKENESS OF BOWL-SHAPED PAHS TO C-60, Journal of organic chemistry, 63(21), 1998, pp. 7556-7558
Authors:
MARCO N
GIMFERRER E
MESTRES J
UBEDA J
MARTINO R
ALTES A
ROYO MT
Citation: N. Marco et al., VITAMIN-E SERUM LEVELS IN PATIENTS WITH LEUKEMIA, LYMPHOMA AND MYELOMA, European journal of epidemiology, 13(7), 1997, pp. 853-854
Citation: J. Mestres et al., MIMIC - A MOLECULAR-FIELD MATCHING PROGRAM - EXPLOITING APPLICABILITYOF MOLECULAR SIMILARITY APPROACHES, Journal of computational chemistry, 18(7), 1997, pp. 934-954
Citation: X. Fradera et al., THE RELEVANCE OF THE LAPLACIAN OF INTRACULE AND EXTRACULE DENSITY DISTRIBUTIONS FOR ANALYZING ELECTRON-ELECTRON INTERACTIONS IN MOLECULES, The Journal of chemical physics, 107(9), 1997, pp. 3576-3583
Authors:
MARTINZARZA P
GILI P
RUIZPEREZ C
RODRIGUEZROMERO FV
LOTTER G
ARRIETA JM
TORRENT M
MESTRES J
SOLA M
DURAN M
Citation: P. Martinzarza et al., PREPARATION AND CHARACTERIZATION OF PYRIDINIUM-N-CARBOXYLATE TRIOXOCHROMATE(VI) (N=3, 4) AND PYRIDINIUM-4-CARBOXYLIC PYRIDINE-4 CARBOXYLATETRIOXOCHROMATE(VI) HEMIHYDRATE, Inorganica Chimica Acta, 258(1), 1997, pp. 53-63
Citation: J. Mestres et Pc. Hiberty, QUANTITATIVE VALENCE-BOND COMPUTATIONS OF CURVE CROSSING DIAGRAMS FORA HYDRIDE-TRANSFER MODEL REACTION - CH4-]CH3++CH4(CH3+), New journal of chemistry, 20(12), 1996, pp. 1213-1219
Authors:
FRADERA X
AMAT L
TORRENT M
MESTRES J
CONSTANS P
BESALU E
MARTI J
SIMON S
LOBATO M
OLIVA JM
LUIS JM
ANDRES JL
SOLA M
CARBO R
DURAN M
Citation: X. Fradera et al., ANALYSIS OF THE CHANGES ON THE POTENTIAL-ENERGY SURFACE OF MENSHUTKINREACTIONS INDUCED BY EXTERNAL PERTURBATIONS, Journal of molecular structure. Theochem, 371, 1996, pp. 171-183
Citation: J. Mestres et al., CHARACTERIZATION OF THE TRANSITION-STATE FOR THE HYDRIDE TRANSFER IN A MODEL OF THE FLAVOPROTEIN REDUCTASE CLASS OF ENZYMES, Bioorganic chemistry, 24(1), 1996, pp. 69-80
Authors:
MESTRES J
SOLA M
CARBO R
LUQUE FJ
OROZCO M
Citation: J. Mestres et al., EFFECT OF SOLVATION ON THE CHARGE-DISTRIBUTION OF A SERIES OF ANIONIC, NEUTRAL, AND CATIONIC SPECIES - A QUANTUM MOLECULAR SIMILARITY STUDY, Journal of physical chemistry, 100(2), 1996, pp. 606-610
Citation: J. Mestres et al., THEORETICAL-STUDY OF DIELS-ALDER CYCLOADDITIONS OF BUTADIENE TO C-70 - AN INSIGHT INTO THE CHEMICAL-REACTIVITY OF C-70 AS COMPARED TO C-60, Journal of physical chemistry, 100(18), 1996, pp. 7449-7454
Citation: M. Sola et al., A COMPARATIVE-ANALYSIS BY MEANS OF QUANTUM MOLECULAR SIMILARITY MEASURES OF DENSITY DISTRIBUTIONS DERIVED FROM CONVENTIONAL AB-INITIO AND DENSITY-FUNCTIONAL METHODS, The Journal of chemical physics, 104(2), 1996, pp. 636-647
Authors:
SOLA M
MESTRES J
OLIVA JM
DURAN M
CARBO R
Citation: M. Sola et al., THE USE OF AB-INITIO QUANTUM MOLECULAR SELF-SIMILARITY MEASURES TO ANALYZE ELECTRONIC CHARGE-DENSITY DISTRIBUTIONS, International journal of quantum chemistry, 58(4), 1996, pp. 361-372
Citation: J. Mestres et al., COMPARATIVE ELECTRONIC ANALYSIS BETWEEN HYDROGEN TRANSFERS IN THE CH4CH3+, CH4/CH3-CENTER-DOT AND CH4/CH3- SYSTEMS - ON THE ELECTRONIC NATURE OF THE HYDROGEN (H-, H-CENTER-DOT, AND H+) BEING TRANSFERRED/, Canadian journal of chemistry, 74(6), 1996, pp. 1253-1262
Citation: M. Sola et al., THEORETICAL-STUDY OF THE REGIOSELECTIVITY OF SUCCESSIVE 1,3-BUTADIENEDIELS-ALDER CYCLOADDITIONS TO C-60, Journal of the American Chemical Society, 118(37), 1996, pp. 8920-8924
Citation: J. Mestres et Ge. Scuseria, GENETIC ALGORITHMS - A ROBUST SCHEME FOR GEOMETRY OPTIMIZATIONS AND GLOBAL MINIMUM STRUCTURE PROBLEMS, Journal of computational chemistry, 16(6), 1995, pp. 729-742
Citation: J. Mestres et al., THE EFFECT OF SUBSTITUENTS ON THE DEPROTONATION ENERGY OF SELECTED PRIMARY, SECONDARY AND TERTIARY ALCOHOLS, Journal of molecular structure. Theochem, 358, 1995, pp. 229-249
Citation: M. Sola et al., MOLECULAR-SIZE AND PYRAMIDALIZATION - 2 KEYS FOR UNDERSTANDING THE REACTIVITY OF FULLERENES, Journal of physical chemistry, 99(27), 1995, pp. 10752-10758
Citation: J. Mestres et al., ON THE CALCULATION OF AB-INITIO QUANTUM MOLECULAR SIMILARITIES FOR LARGE SYSTEMS - FITTING THE ELECTRON-DENSITY, Journal of computational chemistry, 15(10), 1994, pp. 1113-1120
Citation: M. Sola et al., AB-INITIO QUANTUM MOLECULAR SIMILARITY MEASURES ON METAL-SUBSTITUTED CARBONIC-ANHYDRASE (M(II)CA, M=BE, MG, MN, CO, NI, CU, ZN, AND CD), Journal of chemical information and computer sciences, 34(5), 1994, pp. 1047-1053
Citation: J. Mestres et al., AB-INITIO ELECTRONIC ANALYSIS OF THE HYDRIDE TRANSFER IN THE [CH3-H-CH3]+ SYSTEM, Theoretica Chimica Acta, 88(4), 1994, pp. 325-338
Citation: M. Sola et al., AN AM1 STUDY OF THE REACTIVITY OF BUCKMINSTERFULLERENE (C-60) IN A DIELS-ALDER MODEL REACTION, Chemical physics letters, 231(2-3), 1994, pp. 325-330
Citation: M. Sola et al., USE OF AB-INITIO QUANTUM MOLECULAR SIMILARITIES AS AN INTERPRETATIVE TOOL FOR THE STUDY OF CHEMICAL-REACTIONS, Journal of the American Chemical Society, 116(13), 1994, pp. 5909-5915
Citation: J. Mestres et M. Duran, INTRINSIC REACTION COORDINATE OF PERTURBED POTENTIAL-ENERGY SURFACES - CONSTRUCTION OF PERTURBED ENERGY PROFILES, International journal of quantum chemistry, 47(4), 1993, pp. 307-317