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Results: 1-19 |
Results: 19
THE INTERNAL-ROTATION OF HYDROGEN THIOPEROXIDE - ENERGY, CHEMICAL-POTENTIAL, AND HARDNESS PROFILES
Authors: CARDENASJIRON GI LETELIER JR TOROLABBE A
Citation: Gi. Cardenasjiron et al., THE INTERNAL-ROTATION OF HYDROGEN THIOPEROXIDE - ENERGY, CHEMICAL-POTENTIAL, AND HARDNESS PROFILES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(40), 1998, pp. 7864-7871
SPECIAL ISSUE - QUANTUM-THEORY, THEORETICAL AND COMPUTATIONAL CHEMISTRY - A COLLECTION OF INVITED PAPERS IN HONOR OF PROFESSOR GUILLEMIN,YVES,G.SMEYERS ON THE OCCASION OF HIS 65TH BIRTHDAY - PREFACE
Authors: HERNANDEZLAGUNA A TOROLABBE A
Citation: A. Hernandezlaguna et A. Torolabbe, SPECIAL ISSUE - QUANTUM-THEORY, THEORETICAL AND COMPUTATIONAL CHEMISTRY - A COLLECTION OF INVITED PAPERS IN HONOR OF PROFESSOR GUILLEMIN,YVES,G.SMEYERS ON THE OCCASION OF HIS 65TH BIRTHDAY - PREFACE, Journal of molecular structure. Theochem, 433, 1998, pp. 9-9
THE HARMONIC-OSCILLATOR TENSOR APPROACH TO THE EIGENSPECTRA OF MULTIPLE-WELL MOLECULAR POTENTIALS - II - PERIODIC POTENTIALS
Authors: PALTING P LETELIER JR TOROLABBE A
Citation: P. Palting et al., THE HARMONIC-OSCILLATOR TENSOR APPROACH TO THE EIGENSPECTRA OF MULTIPLE-WELL MOLECULAR POTENTIALS - II - PERIODIC POTENTIALS, Journal of molecular structure. Theochem, 432(1), 1998, pp. 1-7
DYNAMICAL AND SPECTROSCOPIC STUDY OF INTERNAL-ROTATION IN FORMIC, THIOLFORMIC, THIONFORMIC AND DITHIOFORMIC ACIDS USING A REDUCED POTENTIALMODEL
Authors: SMEYERS YG VILLA M CARDENASJIRON GI TOROLABBE A
Citation: Yg. Smeyers et al., DYNAMICAL AND SPECTROSCOPIC STUDY OF INTERNAL-ROTATION IN FORMIC, THIOLFORMIC, THIONFORMIC AND DITHIOFORMIC ACIDS USING A REDUCED POTENTIALMODEL, Journal of molecular structure. Theochem, 426, 1998, pp. 155-163
MONTE-CARLO SIMULATIONS OF THE ADSORPTION OF POTASSIUM ON A CU(111) SURFACE
Authors: PADILLACAMPOS L TOROLABBE A
Citation: L. Padillacampos et A. Torolabbe, MONTE-CARLO SIMULATIONS OF THE ADSORPTION OF POTASSIUM ON A CU(111) SURFACE, The Journal of chemical physics, 108(15), 1998, pp. 6458-6465
COMPARATIVE-STUDY OF THE ELECTROCATALYTIC ACTIVITY OF COBALT PHTHALOCYANINE AND COBALT NAPHTHALOCYANINE FOR THE REDUCTION OF OXYGEN AND THEOXIDATION OF HYDRAZINE
Authors: ISAACS M AGUIRRE MJ TOROLABBE A COSTAMAGNA J PAEZ M ZAGAL JH
Citation: M. Isaacs et al., COMPARATIVE-STUDY OF THE ELECTROCATALYTIC ACTIVITY OF COBALT PHTHALOCYANINE AND COBALT NAPHTHALOCYANINE FOR THE REDUCTION OF OXYGEN AND THEOXIDATION OF HYDRAZINE, Electrochimica acta, 43(12-13), 1998, pp. 1821-1827
RELATIONS BETWEEN POTENTIAL-ENERGY, ELECTRONIC CHEMICAL-POTENTIAL, AND HARDNESS PROFILES
Authors: CARDENASJIRON GI GUTIERREZOLIVA S MELIN J TOROLABBE A
Citation: Gi. Cardenasjiron et al., RELATIONS BETWEEN POTENTIAL-ENERGY, ELECTRONIC CHEMICAL-POTENTIAL, AND HARDNESS PROFILES, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(25), 1997, pp. 4621-4627
SPECIAL ISSUE - THEORETICAL CHEMISTRY 1995 - PROCEEDINGS OF THE 22ND INTERNATIONAL-CONGRESS OF THEORETICAL CHEMISTS OF LATIN EXPRESSION, PUCON, CHILE, 25-29 SEPTEMBER 1995
Authors: SMEYERS YG TOROLABBE A
Citation: Yg. Smeyers et A. Torolabbe, SPECIAL ISSUE - THEORETICAL CHEMISTRY 1995 - PROCEEDINGS OF THE 22ND INTERNATIONAL-CONGRESS OF THEORETICAL CHEMISTS OF LATIN EXPRESSION, PUCON, CHILE, 25-29 SEPTEMBER 1995, Journal of molecular structure. Theochem, 390, 1997, pp. 10-10
FRAGMENT CHEMISTRY OF THE HYDROGEN THIOPEROXIDE MOLECULE ENERGY, CHEMICAL-POTENTIAL AND HARDNESS
Authors: CARDENASJIRON GI TOROLABBE A
Citation: Gi. Cardenasjiron et A. Torolabbe, FRAGMENT CHEMISTRY OF THE HYDROGEN THIOPEROXIDE MOLECULE ENERGY, CHEMICAL-POTENTIAL AND HARDNESS, Journal of molecular structure. Theochem, 390, 1997, pp. 79-89
THEORETICAL-STUDY OF THE DIFFUSION OF ALKALI-METALS ON A CU(111) SURFACE
Authors: PADILLACAMPOS L TOROLABBE A
Citation: L. Padillacampos et A. Torolabbe, THEORETICAL-STUDY OF THE DIFFUSION OF ALKALI-METALS ON A CU(111) SURFACE, Journal of molecular structure. Theochem, 390, 1997, pp. 183-192
THEORETICAL INVESTIGATION OF THE ADSORPTION OF ALKALI-METALS ON A CU(111) SURFACE
Authors: PADILLACAMPOS L TOROLABBE A MARUANI J
Citation: L. Padillacampos et al., THEORETICAL INVESTIGATION OF THE ADSORPTION OF ALKALI-METALS ON A CU(111) SURFACE, Surface science, 385(1), 1997, pp. 24-36
THE SYNTOPY MODEL AND THE TRANSITION-STAT E OF CHEMICAL-REACTIONS - MEMBERSHIP FUNCTIONS AND BRONSTED COEFFICIENTS FOR CIS-TRANS ISOMERIZATION
Authors: MARUANI J TOROLABBE A
Citation: J. Maruani et A. Torolabbe, THE SYNTOPY MODEL AND THE TRANSITION-STAT E OF CHEMICAL-REACTIONS - MEMBERSHIP FUNCTIONS AND BRONSTED COEFFICIENTS FOR CIS-TRANS ISOMERIZATION, Comptes rendus de l'Academie des sciences. Serie II. Mecanique, physique, chimie, astronomie, 323(9), 1996, pp. 609-615
A MODEL POTENTIAL FOR THE INTERNAL-ROTATION OF NEIGHBORING RINGS OF BITHIOPHENE AND BIPYRROLE
Authors: PADILLACAMPOS L TOROLABBE A
Citation: L. Padillacampos et A. Torolabbe, A MODEL POTENTIAL FOR THE INTERNAL-ROTATION OF NEIGHBORING RINGS OF BITHIOPHENE AND BIPYRROLE, Journal of molecular structure. Theochem, 330, 1995, pp. 223-229
HARDNESS PROFILE AND ACTIVATION HARDNESS FOR ROTATIONAL ISOMERIZATIONPROCESSES .2. THE MAXIMUM HARDNESS PRINCIPLE
Authors: CARDENASJIRON GI TOROLABBE A
Citation: Gi. Cardenasjiron et A. Torolabbe, HARDNESS PROFILE AND ACTIVATION HARDNESS FOR ROTATIONAL ISOMERIZATIONPROCESSES .2. THE MAXIMUM HARDNESS PRINCIPLE, Journal of physical chemistry, 99(34), 1995, pp. 12730-12738
HARDNESS PROFILE AND ACTIVATION HARDNESS FOR ROTATIONAL ISOMERIZATIONPROCESSES - APPLICATION TO NITROUS-ACID AND HYDROGEN PERSULFIDE
Authors: CARDENASJIRON GI LAHSEN J TOROLABBE A
Citation: Gi. Cardenasjiron et al., HARDNESS PROFILE AND ACTIVATION HARDNESS FOR ROTATIONAL ISOMERIZATIONPROCESSES - APPLICATION TO NITROUS-ACID AND HYDROGEN PERSULFIDE, Journal of physical chemistry, 99(15), 1995, pp. 5325-5330
A THEORETICAL SPECTROSCOPIC STUDY OF THE A)OVER-TILDE1AU(S1)[-XOVER-TILDE-ASTERISK-1AG(S0), N-]PI-ASTERISK TRANSITION IN BIACETYL, (CH3CO)2
Authors: SENENT ML MOULE DC SMEYERS YG TOROLABBE A PEQALVER FJ
Citation: Ml. Senent et al., A THEORETICAL SPECTROSCOPIC STUDY OF THE A)OVER-TILDE1AU(S1)[-XOVER-TILDE-ASTERISK-1AG(S0), N-]PI-ASTERISK TRANSITION IN BIACETYL, (CH3CO)2, Journal of molecular spectroscopy, 164(1), 1994, pp. 66-78
A MODEL POTENTIAL FOR THE INTERNAL-ROTATION OF NITROSYL HYPERFLUORITE- A COMPARATIVE-ANALYSIS OF DIFFERENT THEORETICAL METHODS
Authors: CARDENASJIRON GI TOROLABBE A
Citation: Gi. Cardenasjiron et A. Torolabbe, A MODEL POTENTIAL FOR THE INTERNAL-ROTATION OF NITROSYL HYPERFLUORITE- A COMPARATIVE-ANALYSIS OF DIFFERENT THEORETICAL METHODS, Chemical physics letters, 222(1-2), 1994, pp. 8-14
THEORETICAL-ANALYSIS OF THE INTERNAL-ROTATION, MOLECULAR-STRUCTURES AND ELECTRONIC-PROPERTIES OF THE XSSX SERIES OF MOLECULES (X=H, F, CL)
Authors: CARDENASJIRON GI CARDENASLAILHACAR C TOROLABBE A
Citation: Gi. Cardenasjiron et al., THEORETICAL-ANALYSIS OF THE INTERNAL-ROTATION, MOLECULAR-STRUCTURES AND ELECTRONIC-PROPERTIES OF THE XSSX SERIES OF MOLECULES (X=H, F, CL), Journal of molecular structure. Theochem, 101(1-2), 1993, pp. 113-122
DESOLVATION EFFECTS ON THE DISSOCIATION-ENERGY OF DIATOMIC-MOLECULES - AB-INITIO STUDY OF THE DISSOCIATION OF LI-F IN POLAR MEDIA
Authors: LAHSEN J TOROLABBE A CONTRERAS R AIZMAN A
Citation: J. Lahsen et al., DESOLVATION EFFECTS ON THE DISSOCIATION-ENERGY OF DIATOMIC-MOLECULES - AB-INITIO STUDY OF THE DISSOCIATION OF LI-F IN POLAR MEDIA, Theoretica Chimica Acta, 86(3), 1993, pp. 211-217
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