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Results: 1-19 |
Results: 19
CALCULATION OF CLUSTERED EIGENVALUES OF LARGE MATRICES USING VARIANCEMINIMIZATION METHOD
Authors: BESALU E BOFILL JM
Citation: E. Besalu et Jm. Bofill, CALCULATION OF CLUSTERED EIGENVALUES OF LARGE MATRICES USING VARIANCEMINIMIZATION METHOD, Journal of computational chemistry, 19(15), 1998, pp. 1777-1785
A GENERAL SURVEY OF MOLECULAR QUANTUM SIMILARITY
Authors: CARBODORCA R BESALU E
Citation: R. Carbodorca et E. Besalu, A GENERAL SURVEY OF MOLECULAR QUANTUM SIMILARITY, Journal of molecular structure. Theochem, 451(1-2), 1998, pp. 11-23
MOLECULAR QUANTUM SIMILARITY MEASURES TUNED 3D QSAR - AN ANTITUMORAL FAMILY VALIDATION-STUDY
Authors: AMAT L ROBERT D BESALU E CARBODORCA R
Citation: L. Amat et al., MOLECULAR QUANTUM SIMILARITY MEASURES TUNED 3D QSAR - AN ANTITUMORAL FAMILY VALIDATION-STUDY, Journal of chemical information and computer sciences, 38(4), 1998, pp. 624-631
RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN MATRIX FORM
Authors: BESALU E CARBODORCA R
Citation: E. Besalu et R. Carbodorca, RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN MATRIX FORM, Journal of chemical education, 75(4), 1998, pp. 502-506
EXPLORING THE RAYLEIGH-RITZ VARIATIONAL PRINCIPLE
Authors: BESALU E MARTI J
Citation: E. Besalu et J. Marti, EXPLORING THE RAYLEIGH-RITZ VARIATIONAL PRINCIPLE, Journal of chemical education, 75(1), 1998, pp. 105-107
STRUCTURE-ACTIVITY-RELATIONSHIPS OF A STEROID FAMILY USING QUANTUM SIMILARITY MEASURES AND TOPOLOGICAL QUANTUM SIMILARITY INDEXES
Authors: LOBATO M AMAT L BESALU E CARBODORCA R
Citation: M. Lobato et al., STRUCTURE-ACTIVITY-RELATIONSHIPS OF A STEROID FAMILY USING QUANTUM SIMILARITY MEASURES AND TOPOLOGICAL QUANTUM SIMILARITY INDEXES, Quantitative structure-activity relationships, 16(6), 1997, pp. 465-472
APPLICATION OF MOLECULAR QUANTUM SIMILARITY TO QSAR
Authors: FRADERA X AMAT L BESALU E CARBODORCA R
Citation: X. Fradera et al., APPLICATION OF MOLECULAR QUANTUM SIMILARITY TO QSAR, Quantitative structure-activity relationships, 16(1), 1997, pp. 25-32
RAYLEIGH-SCHRODINGER PERTURBATION-THEORY - PRACTICAL IMPLEMENTATION OF MATRIX AND VECTOR FORMALISMS AND DESCRIPTION OF AN HEURISTIC SUFFICIENCY CONVERGENCE CRITERION
Authors: BESALU E CARBODORCA R
Citation: E. Besalu et R. Carbodorca, RAYLEIGH-SCHRODINGER PERTURBATION-THEORY - PRACTICAL IMPLEMENTATION OF MATRIX AND VECTOR FORMALISMS AND DESCRIPTION OF AN HEURISTIC SUFFICIENCY CONVERGENCE CRITERION, Journal of mathematical chemistry, 22(1), 1997, pp. 85-95
AN ITERATIVE METHOD TO SOLVE THE ALGEBRAIC EIGENVALUE PROBLEM
Authors: BESALU E CARBODORCA R
Citation: E. Besalu et R. Carbodorca, AN ITERATIVE METHOD TO SOLVE THE ALGEBRAIC EIGENVALUE PROBLEM, Journal of mathematical chemistry, 21(4), 1997, pp. 395-412
EXTENDING MOLECULAR SIMILARITY TO ENERGY SURFACES - BOLTZMANN SIMILARITY MEASURES AND INDEXES
Authors: CARBODORCA R BESALU E
Citation: R. Carbodorca et E. Besalu, EXTENDING MOLECULAR SIMILARITY TO ENERGY SURFACES - BOLTZMANN SIMILARITY MEASURES AND INDEXES, Journal of mathematical chemistry, 20(3-4), 1996, pp. 247-261
A PROCEDURE TO OBTAIN AN ACCURATE APPROXIMATION TO A FULL CI WAVE-FUNCTION
Authors: CARBODORCA R BESALU E
Citation: R. Carbodorca et E. Besalu, A PROCEDURE TO OBTAIN AN ACCURATE APPROXIMATION TO A FULL CI WAVE-FUNCTION, Journal of mathematical chemistry, 20(3-4), 1996, pp. 263-271
ON QUANTUM MOLECULAR SIMILARITY MEASURES (QMSM) AND INDEXES (QMSI)
Authors: CARBO R BESALU E AMAT L FRADERA X
Citation: R. Carbo et al., ON QUANTUM MOLECULAR SIMILARITY MEASURES (QMSM) AND INDEXES (QMSI), Journal of mathematical chemistry, 19(1), 1996, pp. 47-56
ANALYSIS OF THE CHANGES ON THE POTENTIAL-ENERGY SURFACE OF MENSHUTKINREACTIONS INDUCED BY EXTERNAL PERTURBATIONS
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
MENDELEEV CONJECTURE AS A CONSEQUENCE OF MENDELEEV POSTULATES
Authors: CARBO R BESALU E
Citation: R. Carbo et E. Besalu, MENDELEEV CONJECTURE AS A CONSEQUENCE OF MENDELEEV POSTULATES, Afinidad, 53(462), 1996, pp. 77-79
QUANTUM MOLECULAR SIMILARITY MEASURES (QMSM) AS A NATURAL WAY LEADINGTOWARDS A THEORETICAL FOUNDATION OF QUANTITATIVE STRUCTURE-PROPERTIESRELATIONSHIPS (QSPR)
Authors: CARBO R BESALU E AMAT L FRADERA X
Citation: R. Carbo et al., QUANTUM MOLECULAR SIMILARITY MEASURES (QMSM) AS A NATURAL WAY LEADINGTOWARDS A THEORETICAL FOUNDATION OF QUANTITATIVE STRUCTURE-PROPERTIESRELATIONSHIPS (QSPR), Journal of mathematical chemistry, 18(2-4), 1995, pp. 237-246
DEFINITION AND QUANTUM-CHEMICAL APPLICATIONS OF NESTED SUMMATION SYMBOLS AND LOGICAL FUNCTIONS - PEDAGOGICAL ARTIFICIAL-INTELLIGENCE DEVICES FOR FORMULAS WRITING, SEQUENTIAL PROGRAMMING AND AUTOMATIC PARALLEL IMPLEMENTATION
Authors: CARBO R BESALU E
Citation: R. Carbo et E. Besalu, DEFINITION AND QUANTUM-CHEMICAL APPLICATIONS OF NESTED SUMMATION SYMBOLS AND LOGICAL FUNCTIONS - PEDAGOGICAL ARTIFICIAL-INTELLIGENCE DEVICES FOR FORMULAS WRITING, SEQUENTIAL PROGRAMMING AND AUTOMATIC PARALLEL IMPLEMENTATION, Journal of mathematical chemistry, 18(1), 1995, pp. 37-72
GENERALIZED RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN MATRIX FORM
Authors: BESALU E CARBO R
Citation: E. Besalu et R. Carbo, GENERALIZED RAYLEIGH-SCHRODINGER PERTURBATION-THEORY IN MATRIX FORM, Journal of mathematical chemistry, 15(3-4), 1994, pp. 397-406
DEFINITION, MATHEMATICAL EXAMPLES AND QUANTUM-CHEMICAL APPLICATIONS OF NESTED SUMMATION SYMBOLS AND LOGICAL KRONECKER DELTAS
Authors: CARBO R BESALU E
Citation: R. Carbo et E. Besalu, DEFINITION, MATHEMATICAL EXAMPLES AND QUANTUM-CHEMICAL APPLICATIONS OF NESTED SUMMATION SYMBOLS AND LOGICAL KRONECKER DELTAS, Computers & chemistry, 18(2), 1994, pp. 117-126
NESTED SUMMATION SYMBOLS AND PERTURBATION-THEORY
Authors: CARBO R BESALU E
Citation: R. Carbo et E. Besalu, NESTED SUMMATION SYMBOLS AND PERTURBATION-THEORY, Journal of mathematical chemistry, 13(3-4), 1993, pp. 331-342
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