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Results: 1-13 |
Results: 13
THEORETICAL INVESTIGATION OF THE LOW-LYING ELECTRONIC STATES OF DIOXIRANE - RING-OPENING TO DIOXYMETHANE AND DISSOCIATION INTO CO2 AND H-2
Authors: ANGLADA JM BOFILL JM OLIVELLA S SOLE A
Citation: Jm. Anglada et al., THEORETICAL INVESTIGATION OF THE LOW-LYING ELECTRONIC STATES OF DIOXIRANE - RING-OPENING TO DIOXYMETHANE AND DISSOCIATION INTO CO2 AND H-2, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(19), 1998, pp. 3398-3406
HOW GOOD IS A BROYDEN-FLETCHER-GOLDFARB-SHANNO-LIKE UPDATE HESSIAN FORMULA TO LOCATE TRANSITION STRUCTURES - SPECIFIC REFORMULATION OF BROYDEN-FLETCHER-GOLDFARB-SHANNO FOR OPTIMIZING SADDLE-POINTS
Authors: ANGLADA JM BOFILL JM
Citation: Jm. Anglada et Jm. Bofill, HOW GOOD IS A BROYDEN-FLETCHER-GOLDFARB-SHANNO-LIKE UPDATE HESSIAN FORMULA TO LOCATE TRANSITION STRUCTURES - SPECIFIC REFORMULATION OF BROYDEN-FLETCHER-GOLDFARB-SHANNO FOR OPTIMIZING SADDLE-POINTS, Journal of computational chemistry, 19(3), 1998, pp. 349-362
INFLUENCE OF THE CASTING TEMPERATURES ON THE ABRASIVE WEAR OF THE DIFFERENT METALS USED IN DENTAL PROSTHETIC
Authors: BIZAR J GIL FJ ANGLADA JM PERAIRE M SALSENCH J
Citation: J. Bizar et al., INFLUENCE OF THE CASTING TEMPERATURES ON THE ABRASIVE WEAR OF THE DIFFERENT METALS USED IN DENTAL PROSTHETIC, Journal of dental research, 77, 1998, pp. 347-347
A REDUCED-RESTRICTED-QUASI-NEWTON-RAPHSON-METHOD FOR LOCATING AND OPTIMIZING ENERGY CROSSING POINTS BETWEEN 2 POTENTIAL-ENERGY SURFACES
Authors: ANGLADA JM BOFILL JM
Citation: Jm. Anglada et Jm. Bofill, A REDUCED-RESTRICTED-QUASI-NEWTON-RAPHSON-METHOD FOR LOCATING AND OPTIMIZING ENERGY CROSSING POINTS BETWEEN 2 POTENTIAL-ENERGY SURFACES, Journal of computational chemistry, 18(8), 1997, pp. 992-1003
ELECTRONIC-STRUCTURE AND UNIMOLECULAR REACTIONS OF CYCLOPROPENONE CARBONYL OXIDE - A THEORETICAL-STUDY
Authors: ANGLADA JM BOFILL JM
Citation: Jm. Anglada et Jm. Bofill, ELECTRONIC-STRUCTURE AND UNIMOLECULAR REACTIONS OF CYCLOPROPENONE CARBONYL OXIDE - A THEORETICAL-STUDY, Journal of organic chemistry, 62(9), 1997, pp. 2720-2726
ON THE RESTRICTED STEP METHOD COUPLED WITH THE AUGMENTED HESSIAN FOR THE SEARCH OF STATIONARY-POINTS OF ANY CONTINUOUS FUNCTION
Authors: ANGLADA JM BOFILL JM
Citation: Jm. Anglada et Jm. Bofill, ON THE RESTRICTED STEP METHOD COUPLED WITH THE AUGMENTED HESSIAN FOR THE SEARCH OF STATIONARY-POINTS OF ANY CONTINUOUS FUNCTION, International journal of quantum chemistry, 62(2), 1997, pp. 153-165
A SYMMETRICAL ORTHOGONAL TRANSFORMATION APPLIED TO MOLECULAR-GEOMETRYOPTIMIZATIONS CONSTRAINED ON A HYPERSPHERE
Authors: ANGLADA JM BOFILL JM
Citation: Jm. Anglada et Jm. Bofill, A SYMMETRICAL ORTHOGONAL TRANSFORMATION APPLIED TO MOLECULAR-GEOMETRYOPTIMIZATIONS CONSTRAINED ON A HYPERSPHERE, Chemical physics letters, 269(5-6), 1997, pp. 469-474
N,N'-CYCLIZATION OF CARBODIIMIDES WITH 2-(BROMOMETHYL)ACRYLIC ACID - A DIRECT ENTRY TO THE SYSTEM 5-METHYLENE-6H-PYRIMIDINE-2,4-DIONE, A NEW CLASS OF THYMINE ANALOGS
Authors: ANGLADA JM CAMPOS T CAMPS F MORETO JM PAGES L
Citation: Jm. Anglada et al., N,N'-CYCLIZATION OF CARBODIIMIDES WITH 2-(BROMOMETHYL)ACRYLIC ACID - A DIRECT ENTRY TO THE SYSTEM 5-METHYLENE-6H-PYRIMIDINE-2,4-DIONE, A NEW CLASS OF THYMINE ANALOGS, Journal of heterocyclic chemistry, 33(4), 1996, pp. 1259-1270
UNIMOLECULAR ISOMERIZATIONS AND OXYGEN-ATOM LOSS IN FORMALDEHYDE AND ACETALDEHYDE CARBONYL OXIDES - A THEORETICAL INVESTIGATION
Authors: ANGLADA JM BOFILL JM OLIVELLA S SOLE A
Citation: Jm. Anglada et al., UNIMOLECULAR ISOMERIZATIONS AND OXYGEN-ATOM LOSS IN FORMALDEHYDE AND ACETALDEHYDE CARBONYL OXIDES - A THEORETICAL INVESTIGATION, Journal of the American Chemical Society, 118(19), 1996, pp. 4636-4647
A GEOMETRY OPTIMIZATION BENCHMARK USING HIGHLY CORRELATED WAVE-FUNCTIONS (FCI AND MRD-CI)
Authors: ANGLADA JM BOFILL JM
Citation: Jm. Anglada et Jm. Bofill, A GEOMETRY OPTIMIZATION BENCHMARK USING HIGHLY CORRELATED WAVE-FUNCTIONS (FCI AND MRD-CI), Theoretica Chimica Acta, 92(6), 1995, pp. 369-381
THEORETICAL-STUDY OF THE LOFF-LYING ELECTRONIC STATES OF 4-OXO-2,5-CYCLOHEXADIENYLIDENE AND THEIR FORMATION FROM 1H-BICYCLO[3.1.0]HEXA-3,5-DIEN-2-ONE
Authors: SOLE A OLIVELLA S BOFILL JM ANGLADA JM
Citation: A. Sole et al., THEORETICAL-STUDY OF THE LOFF-LYING ELECTRONIC STATES OF 4-OXO-2,5-CYCLOHEXADIENYLIDENE AND THEIR FORMATION FROM 1H-BICYCLO[3.1.0]HEXA-3,5-DIEN-2-ONE, Journal of physical chemistry, 99(16), 1995, pp. 5934-5944
PRACTICAL REMARKS ON THE SELECTION OF THE ACTIVE SPACE IN THE CAS-SCFWAVE-FUNCTION
Authors: ANGLADA JM BOFILL JM
Citation: Jm. Anglada et Jm. Bofill, PRACTICAL REMARKS ON THE SELECTION OF THE ACTIVE SPACE IN THE CAS-SCFWAVE-FUNCTION, Chemical physics letters, 243(1-2), 1995, pp. 151-157
SOME REMARKS ON THE USE OF THE 3-TERM RECURRENCE METHOD IN THE CONFIGURATION-INTERACTION EIGENVALUE PROBLEM
Authors: BOFILL JM ANGLADA JM
Citation: Jm. Bofill et Jm. Anglada, SOME REMARKS ON THE USE OF THE 3-TERM RECURRENCE METHOD IN THE CONFIGURATION-INTERACTION EIGENVALUE PROBLEM, Chemical physics, 183(1), 1994, pp. 19-26
Risultati: 1-13 |