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Results: 1-25 | 26-50 | 51-51
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DYNAMICS OF THE LI-2 REACTION - COEXISTENCE OF STATISTICAL AND DIRECTATTRIBUTES(LI)
Authors: PAIS AACC VORONIN AI VARANDAS AJC
Citation: Aacc. Pais et al., DYNAMICS OF THE LI-2 REACTION - COEXISTENCE OF STATISTICAL AND DIRECTATTRIBUTES(LI), Journal of physical chemistry, 100(18), 1996, pp. 7480-7487
ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES - AN ACCURATE SINGLE-VALUED FUNCTION FOR THE WATER MOLECULE
Authors: VARANDAS AJC
Citation: Ajc. Varandas, ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES - AN ACCURATE SINGLE-VALUED FUNCTION FOR THE WATER MOLECULE, The Journal of chemical physics, 105(9), 1996, pp. 3524-3531
INCORPORATION OF TUNNELING EFFECTS IN CLASSICAL TRAJECTORIES VIA A METHOD OF CANONICAL-TRANSFORMATIONS
Authors: VARANDAS AJC MILNIKOV GV
Citation: Ajc. Varandas et Gv. Milnikov, INCORPORATION OF TUNNELING EFFECTS IN CLASSICAL TRAJECTORIES VIA A METHOD OF CANONICAL-TRANSFORMATIONS, Chemical physics letters, 259(5-6), 1996, pp. 605-610
THEORETICAL 3D STUDY OF TRANSITION-STATE RESONANCES FOR THE H-2 REACTION USING 2 COUPLED DIABATIC POTENTIAL-ENERGY SURFACES(H)
Authors: VARANDAS AJC YU HG
Citation: Ajc. Varandas et Hg. Yu, THEORETICAL 3D STUDY OF TRANSITION-STATE RESONANCES FOR THE H-2 REACTION USING 2 COUPLED DIABATIC POTENTIAL-ENERGY SURFACES(H), Chemical physics letters, 259(3-4), 1996, pp. 336-341
ON THE CHAPERONE MECHANISM FOR ASSOCIATION RATE CONSTANTS - THE FORMATION OF HO2 AND O-3
Authors: VARANDAS AJC PAIS AACC MARQUES JMC WANG W
Citation: Ajc. Varandas et al., ON THE CHAPERONE MECHANISM FOR ASSOCIATION RATE CONSTANTS - THE FORMATION OF HO2 AND O-3, Chemical physics letters, 249(3-4), 1996, pp. 264-271
CALCULATION OF THE ASYMPTOTIC INTERACTION AND MODELING OF THE POTENTIAL-ENERGY CURVES OF OH AND OH+
Authors: VARANDAS AJC VORONIN AI
Citation: Ajc. Varandas et Ai. Voronin, CALCULATION OF THE ASYMPTOTIC INTERACTION AND MODELING OF THE POTENTIAL-ENERGY CURVES OF OH AND OH+, Chemical physics, 194(1), 1995, pp. 91-100
EXTRAPOLATION METHOD FOR CROSS-SECTION FROM QUANTUM-MECHANICAL J=0 REACTIVITY - H-2(O)
Authors: VARANDAS AJC
Citation: Ajc. Varandas, EXTRAPOLATION METHOD FOR CROSS-SECTION FROM QUANTUM-MECHANICAL J=0 REACTIVITY - H-2(O), Molecular physics, 85(6), 1995, pp. 1159-1164
TOWARDS A DOUBLE MANY-BODY EXPANSION METHOD FOR MULTIVALUED POTENTIAL-ENERGY SURFACES - THE H-3, FH2 AND NO2 SYSTEMS
Authors: VARANDAS AJC VORONIN AI
Citation: Ajc. Varandas et Ai. Voronin, TOWARDS A DOUBLE MANY-BODY EXPANSION METHOD FOR MULTIVALUED POTENTIAL-ENERGY SURFACES - THE H-3, FH2 AND NO2 SYSTEMS, Molecular physics, 85(3), 1995, pp. 497-526
QUASI-CLASSICAL TRAJECTORY STUDY OF THE LI-2 REACTION(CS)
Authors: MORAIS VMF VARANDAS AJC
Citation: Vmf. Morais et Ajc. Varandas, QUASI-CLASSICAL TRAJECTORY STUDY OF THE LI-2 REACTION(CS), Molecular physics, 84(5), 1995, pp. 957-969
POTENTIAL-ENERGY SURFACES FOR THE LOW-LYING (2)A STATES OF HO2 VIA A MULTIVALUED DOUBLE MANY-BODY EXPANSION - MODELING BASIC ATTRIBUTES
Authors: VARANDAS AJC VORONIN AI
Citation: Ajc. Varandas et Ai. Voronin, POTENTIAL-ENERGY SURFACES FOR THE LOW-LYING (2)A STATES OF HO2 VIA A MULTIVALUED DOUBLE MANY-BODY EXPANSION - MODELING BASIC ATTRIBUTES, Journal of physical chemistry, 99(43), 1995, pp. 15846-15857
3-DIMENSIONAL QUANTUM-MECHANICAL RATE CONSTANTS FOR THE REACTION O-3-]2O(2), EMPLOYING A 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE(O)
Authors: SZICHMAN H VARANDAS AJC BAER M
Citation: H. Szichman et al., 3-DIMENSIONAL QUANTUM-MECHANICAL RATE CONSTANTS FOR THE REACTION O-3-]2O(2), EMPLOYING A 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE(O), The Journal of chemical physics, 102(8), 1995, pp. 3474-3476
INTERNUCLEAR DEPENDENCE OF STATIC DIPOLE POLARIZABILITY IN DIATOMIC-MOLECULES
Authors: VARANDAS AJC RODRIGUES SPJ
Citation: Ajc. Varandas et Spj. Rodrigues, INTERNUCLEAR DEPENDENCE OF STATIC DIPOLE POLARIZABILITY IN DIATOMIC-MOLECULES, Chemical physics letters, 245(1), 1995, pp. 66-74
J=O REACTIVITY AND CROSS-SECTION IN THE H-2 REACTION - IS THERE A PRONOUNCED MAXIMUM AS A FUNCTION OF ENERGY(O)
Authors: VARANDAS AJC
Citation: Ajc. Varandas, J=O REACTIVITY AND CROSS-SECTION IN THE H-2 REACTION - IS THERE A PRONOUNCED MAXIMUM AS A FUNCTION OF ENERGY(O), Chemical physics letters, 235(1-2), 1995, pp. 111-118
ADJUSTED DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR HO2 BASED ON RIGOROUS VIBRATIONAL CALCULATIONS
Authors: VARANDAS AJC BOWMAN JM GAZDY B
Citation: Ajc. Varandas et al., ADJUSTED DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR HO2 BASED ON RIGOROUS VIBRATIONAL CALCULATIONS, Chemical physics letters, 233(4), 1995, pp. 405-410
DYNAMICS CALCULATIONS AND ISOTOPIC EFFECT IN O-]O-2+H(D) AT LOW ENERGIES(OH(D))
Authors: MARQUES JMC WANG WL VARANDAS AJC
Citation: Jmc. Marques et al., DYNAMICS CALCULATIONS AND ISOTOPIC EFFECT IN O-]O-2+H(D) AT LOW ENERGIES(OH(D)), Journal of the Chemical Society. Faraday transactions, 90(15), 1994, pp. 2189-2200
VIRIAL-THEOREM DECOMPOSITION AS A TOOL FOR COMPARING AND IMPROVING POTENTIAL-ENERGY SURFACES - GROUND-STATE LI(3)
Authors: PAIS AACC NALEWAJSKI RF VARANDAS AJC
Citation: Aacc. Pais et al., VIRIAL-THEOREM DECOMPOSITION AS A TOOL FOR COMPARING AND IMPROVING POTENTIAL-ENERGY SURFACES - GROUND-STATE LI(3), Journal of the Chemical Society. Faraday transactions, 90(10), 1994, pp. 1381-1390
METHOD FOR QUASI-CLASSICAL TRAJECTORY CALCULATIONS ON POTENTIAL-ENERGY SURFACES DEFINED FROM GRADIENTS AND HESSIANS, AND MODEL TO CONSTRAINTHE ENERGY IN VIBRATIONAL-MODES
Authors: VARANDAS AJC MARQUES JMC
Citation: Ajc. Varandas et Jmc. Marques, METHOD FOR QUASI-CLASSICAL TRAJECTORY CALCULATIONS ON POTENTIAL-ENERGY SURFACES DEFINED FROM GRADIENTS AND HESSIANS, AND MODEL TO CONSTRAINTHE ENERGY IN VIBRATIONAL-MODES, The Journal of chemical physics, 100(3), 1994, pp. 1908-1920
QUANTUM-MECHANICAL VALENCE STUDY OF A BOND-BREAKING BOND-FORMING PROCESS IN TRIATOMIC SYSTEMS
Authors: NALEWAJSKI RF FORMOSINHO SJ VARANDAS AJC MROZEK J
Citation: Rf. Nalewajski et al., QUANTUM-MECHANICAL VALENCE STUDY OF A BOND-BREAKING BOND-FORMING PROCESS IN TRIATOMIC SYSTEMS, International journal of quantum chemistry, 52(5), 1994, pp. 1153-1176
QUANTUM-MECHANICAL VALENCE STUDY OF A BOND-BREAKING BOND-FORMING PROCESS IN TRIATOMIC SYSTEMS
Authors: NALEWAJSKI RF FORMOSINHO SJ VARANDAS AJC MROZEK J
Citation: Rf. Nalewajski et al., QUANTUM-MECHANICAL VALENCE STUDY OF A BOND-BREAKING BOND-FORMING PROCESS IN TRIATOMIC SYSTEMS, International journal of quantum chemistry, 52(5), 1994, pp. 1153-1176
A 3-DIMENSIONAL QUANTUM-MECHANICAL STUDY OF THE REACTION O-3-]2O(2) EMPLOYING A 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE(O)
Authors: SZICHMAN H VARANDAS AJC BAER M
Citation: H. Szichman et al., A 3-DIMENSIONAL QUANTUM-MECHANICAL STUDY OF THE REACTION O-3-]2O(2) EMPLOYING A 6-DIMENSIONAL POTENTIAL-ENERGY SURFACE(O), Chemical physics letters, 231(2-3), 1994, pp. 253-256
ANALYTICAL POTENTIAL-ENERGY SURFACES FOR ALKALI DIHALIDE MOLECULES BASED ON THE DIATOMICS-IN-MOLECULES FORMALISM - APPLICATION TO LIF2
Authors: VARANDAS AJC VORONIN AI
Citation: Ajc. Varandas et Ai. Voronin, ANALYTICAL POTENTIAL-ENERGY SURFACES FOR ALKALI DIHALIDE MOLECULES BASED ON THE DIATOMICS-IN-MOLECULES FORMALISM - APPLICATION TO LIF2, Chemical physics letters, 227(1-2), 1994, pp. 133-142
A NOVEL NON-ACTIVE MODEL TO ACCOUNT FOR THE LEAK OF ZERO-POINT ENERGYIN TRAJECTORY CALCULATIONS - APPLICATION TO H-THRESHOLD(O2 REACTION NEAR)
Authors: VARANDAS AJC
Citation: Ajc. Varandas, A NOVEL NON-ACTIVE MODEL TO ACCOUNT FOR THE LEAK OF ZERO-POINT ENERGYIN TRAJECTORY CALCULATIONS - APPLICATION TO H-THRESHOLD(O2 REACTION NEAR), Chemical physics letters, 225(1-3), 1994, pp. 18-27
VIRIAL-THEOREM DECOMPOSITION OF POTENTIAL-ENERGY SURFACES - ANALYSIS OF THE DOUBLE MANY-BODY EXPANSION GROUND-STATE SURFACE OF LI3
Authors: PAIS AACC NALEWAJSKI RF VARANDAS AJC
Citation: Aacc. Pais et al., VIRIAL-THEOREM DECOMPOSITION OF POTENTIAL-ENERGY SURFACES - ANALYSIS OF THE DOUBLE MANY-BODY EXPANSION GROUND-STATE SURFACE OF LI3, Journal of the Chemical Society. Faraday transactions, 89(21), 1993, pp. 3885-3897
DOUBLE MANY-BODY EXPANSION OF THE 2 LOWEST POTENTIAL-ENERGY SURFACES FOR LI-3 AND DYNAMICS OF THE LI-2(UPSILON) REACTION - INITIAL ORIENTATION AND VIBRATIONAL-EXCITATION EFFECTS(LI)
Authors: VARANDAS AJC PAIS AACC
Citation: Ajc. Varandas et Aacc. Pais, DOUBLE MANY-BODY EXPANSION OF THE 2 LOWEST POTENTIAL-ENERGY SURFACES FOR LI-3 AND DYNAMICS OF THE LI-2(UPSILON) REACTION - INITIAL ORIENTATION AND VIBRATIONAL-EXCITATION EFFECTS(LI), Journal of the Chemical Society. Faraday transactions, 89(10), 1993, pp. 1511-1526
EXCITATION-FUNCTION FOR H- A STUDY OF ZERO-POINT ENERGY EFFECTS AND ROTATIONAL DISTRIBUTIONS IN TRAJECTORY CALCULATIONS(O2 REACTION )
Authors: VARANDAS AJC
Citation: Ajc. Varandas, EXCITATION-FUNCTION FOR H- A STUDY OF ZERO-POINT ENERGY EFFECTS AND ROTATIONAL DISTRIBUTIONS IN TRAJECTORY CALCULATIONS(O2 REACTION ), The Journal of chemical physics, 99(2), 1993, pp. 1076-1085
Risultati: 1-25 | 26-50 | 51-51