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Results: 1-25 | 26-50 | 51-51
Results: 1-25/51
QUANTUM DYNAMICAL RATE-CONSTANT FOR THE H-3 REACTION USING A 6-DIMENSIONAL DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE REVISITED(O)
Authors: SZICHMAN H BAER M VARANDAS AJC
Citation: H. Szichman et al., QUANTUM DYNAMICAL RATE-CONSTANT FOR THE H-3 REACTION USING A 6-DIMENSIONAL DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE REVISITED(O), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(45), 1998, pp. 8909-8912
QUASI-CLASSICAL TRAJECTORY STUDY OF THE ENVIRONMENTAL REACTION O-]OH+O-2(HO2)
Authors: WANG W GONZALEZJONTE R VARANDAS AJC
Citation: W. Wang et al., QUASI-CLASSICAL TRAJECTORY STUDY OF THE ENVIRONMENTAL REACTION O-]OH+O-2(HO2), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(35), 1998, pp. 6935-6941
DYNAMICS STUDY OF THE REACTION AR-]AR+H+CN(HCN)
Authors: RODRIGUES SPJ VARANDAS AJC
Citation: Spj. Rodrigues et Ajc. Varandas, DYNAMICS STUDY OF THE REACTION AR-]AR+H+CN(HCN), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(31), 1998, pp. 6266-6273
TRAJECTORY SURFACE HOPPING STUDY OF THE LI-2(X-1-SIGMA(+)(G)) DISSOCIATION REACTION(LI)
Authors: VORONIN AI MARQUES JMC VARANDAS AJC
Citation: Ai. Voronin et al., TRAJECTORY SURFACE HOPPING STUDY OF THE LI-2(X-1-SIGMA(+)(G)) DISSOCIATION REACTION(LI), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(30), 1998, pp. 6057-6062
ON THE O-2(V')-2(V'') ATMOSPHERIC REACTION - 2 - THE ROLE OF ROTATIONAL-EXCITATION(O)
Authors: WANG W VARANDAS AJC
Citation: W. Wang et Ajc. Varandas, ON THE O-2(V')-2(V'') ATMOSPHERIC REACTION - 2 - THE ROLE OF ROTATIONAL-EXCITATION(O), Chemical physics, 236(1-3), 1998, pp. 181-188
AB-INITIO MRCI CALCULATION AND MODELING OF THE A(1)PI POTENTIAL-ENERGY CURVE OF CO
Authors: JIMENO P VORONIN AI VARANDAS AJC
Citation: P. Jimeno et al., AB-INITIO MRCI CALCULATION AND MODELING OF THE A(1)PI POTENTIAL-ENERGY CURVE OF CO, Journal of molecular spectroscopy (Print), 192(1), 1998, pp. 86-90
ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES - III - 3-VALUED FUNCTION FOR THE WATER MOLECULE
Authors: VARANDAS AJC VORONIN AI CARIDADE PJSB
Citation: Ajc. Varandas et al., ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES - III - 3-VALUED FUNCTION FOR THE WATER MOLECULE, The Journal of chemical physics, 108(18), 1998, pp. 7623-7630
A 3-DIMENSIONAL QUANTUM-MECHANICAL STUDY OF THE O- INFINITE-ORDER SUDDEN APPROXIMATION AND NOVEL ADIABATIC APPROACHES VS. QUASI-CLASSICAL TRAJECTORIES(HO2 ATMOSPHERIC REACTION )
Authors: VARANDAS AJC SZICHMAN H
Citation: Ajc. Varandas et H. Szichman, A 3-DIMENSIONAL QUANTUM-MECHANICAL STUDY OF THE O- INFINITE-ORDER SUDDEN APPROXIMATION AND NOVEL ADIABATIC APPROACHES VS. QUASI-CLASSICAL TRAJECTORIES(HO2 ATMOSPHERIC REACTION ), Chemical physics letters, 295(1-2), 1998, pp. 113-121
QUASI-AB INITIO DYNAMICS - A TEST TRAJECTORY STUDY OF THE H-2 REACTION USING ENERGIES AND GRADIENTS BASED ON SCALING OF THE EXTERNAL CORRELATION(H)
Authors: VARANDAS AJC ABREU PE
Citation: Ajc. Varandas et Pe. Abreu, QUASI-AB INITIO DYNAMICS - A TEST TRAJECTORY STUDY OF THE H-2 REACTION USING ENERGIES AND GRADIENTS BASED ON SCALING OF THE EXTERNAL CORRELATION(H), Chemical physics letters, 293(3-4), 1998, pp. 261-269
QUANTUM DYNAMICAL RATE-CONSTANT FOR THE H-3 REACTION USING A 6-DIMENSIONAL DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE(O)
Authors: SZICHMAN H BAER M VARANDAS AJC
Citation: H. Szichman et al., QUANTUM DYNAMICAL RATE-CONSTANT FOR THE H-3 REACTION USING A 6-DIMENSIONAL DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE(O), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(47), 1997, pp. 8817-8821
CLASSICAL TRAJECTORY STUDY OF MODE SPECIFICITY AND ROTATIONAL EFFECTSIN UNIMOLECULAR DISSOCIATION OF HO2
Authors: MARQUES JMC VARANDAS AJC
Citation: Jmc. Marques et Ajc. Varandas, CLASSICAL TRAJECTORY STUDY OF MODE SPECIFICITY AND ROTATIONAL EFFECTSIN UNIMOLECULAR DISSOCIATION OF HO2, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(28), 1997, pp. 5168-5173
TOWARD A SINGLE-VALUED DMBE POTENTIAL-ENERGY SURFACE FOR CHNO((3)A) .1. DIATOMIC FRAGMENTS
Authors: JIMENO P RAYEZ JC ABREU PE VARANDAS AJC
Citation: P. Jimeno et al., TOWARD A SINGLE-VALUED DMBE POTENTIAL-ENERGY SURFACE FOR CHNO((3)A) .1. DIATOMIC FRAGMENTS, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(26), 1997, pp. 4828-4834
GEOMETRIC PHASE EFFECTS ON TRANSITION-STATE RESONANCES AND BOUND VIBRATIONAL-STATES OF H-3 VIA A TIME-DEPENDENT WAVEPACKET METHOD
Authors: VARANDAS AJC YU HG
Citation: Ajc. Varandas et Hg. Yu, GEOMETRIC PHASE EFFECTS ON TRANSITION-STATE RESONANCES AND BOUND VIBRATIONAL-STATES OF H-3 VIA A TIME-DEPENDENT WAVEPACKET METHOD, Journal of the Chemical Society. Faraday transactions, 93(5), 1997, pp. 819-824
GEOMETRIC PHASE EFFECTS ON TRANSITION-STATE RESONANCES AND BOUND VIBRATIONAL-STATES OF H-3 VIA A TIME-DEPENDENT WAVEPACKET METHOD (VOL 93, PG 819, 1997)
Authors: VARANDAS AJC YU HG
Citation: Ajc. Varandas et Hg. Yu, GEOMETRIC PHASE EFFECTS ON TRANSITION-STATE RESONANCES AND BOUND VIBRATIONAL-STATES OF H-3 VIA A TIME-DEPENDENT WAVEPACKET METHOD (VOL 93, PG 819, 1997), Journal of the Chemical Society. Faraday transactions, 93(19), 1997, pp. 3599-3599
DYNAMICS OF H(D)-3 REACTIONS ON A DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR GROUND-STATE HO3(O)
Authors: YU HG VARANDAS AJC
Citation: Hg. Yu et Ajc. Varandas, DYNAMICS OF H(D)-3 REACTIONS ON A DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR GROUND-STATE HO3(O), Journal of the Chemical Society. Faraday transactions, 93(16), 1997, pp. 2651-2656
ON THE O-2 (UPSILON')-2 (UPSILON'') ATMOSPHERIC REACTION - A QUASI-CLASSICAL TRAJECTORY STUDY(O)
Authors: VARANDAS AJC WANG W
Citation: Ajc. Varandas et W. Wang, ON THE O-2 (UPSILON')-2 (UPSILON'') ATMOSPHERIC REACTION - A QUASI-CLASSICAL TRAJECTORY STUDY(O), Chemical physics, 215(2), 1997, pp. 167-182
DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR GROUND-STATE HO3
Authors: VARANDAS AJC YU HG
Citation: Ajc. Varandas et Hg. Yu, DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR GROUND-STATE HO3, Molecular physics, 91(2), 1997, pp. 301-318
ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES .2. 2-VALUED FUNCTIONFOR THE WATER MOLECULE
Authors: VARANDAS AJC
Citation: Ajc. Varandas, ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES .2. 2-VALUED FUNCTIONFOR THE WATER MOLECULE, The Journal of chemical physics, 107(3), 1997, pp. 867-878
CONICAL INTERSECTIONS BETWEEN THE 2 LOWEST (1)A' POTENTIAL-ENERGY SURFACES OF HCN, AND THE ROLE OF 3-BODY EFFECTS
Authors: VARANDAS AJC VORONIN AI JIMENO P
Citation: Ajc. Varandas et al., CONICAL INTERSECTIONS BETWEEN THE 2 LOWEST (1)A' POTENTIAL-ENERGY SURFACES OF HCN, AND THE ROLE OF 3-BODY EFFECTS, The Journal of chemical physics, 107(23), 1997, pp. 10014-10028
ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES - AN ACCURATE SINGLE-VALUED FUNCTION FOR THE WATER MOLECULE (VOL 105, PG 3524, 1996)
Authors: VARANDAS AJC
Citation: Ajc. Varandas, ENERGY SWITCHING APPROACH TO POTENTIAL SURFACES - AN ACCURATE SINGLE-VALUED FUNCTION FOR THE WATER MOLECULE (VOL 105, PG 3524, 1996), The Journal of chemical physics, 107(15), 1997, pp. 5987-5987
DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR GROUND-STATE HCN BASED ON REALISTIC LONG-RANGE FORCES AND ACCURATE AB-INITIO CALCULATIONS
Authors: VARANDAS AJC RODRIGUES SPJ
Citation: Ajc. Varandas et Spj. Rodrigues, DOUBLE MANY-BODY EXPANSION POTENTIAL-ENERGY SURFACE FOR GROUND-STATE HCN BASED ON REALISTIC LONG-RANGE FORCES AND ACCURATE AB-INITIO CALCULATIONS, The Journal of chemical physics, 106(23), 1997, pp. 9647-9658
CROSS-SECTIONS AND RATE CONSTANTS FOR THE O(D-1)-2 REACTION USING A SINGLE-VALUED ENERGY-SWITCHING POTENTIAL-ENERGY SURFACE(H)
Authors: VARANDAS AJC VORONIN AI RIGANELLI A CARIDADE PJSB
Citation: Ajc. Varandas et al., CROSS-SECTIONS AND RATE CONSTANTS FOR THE O(D-1)-2 REACTION USING A SINGLE-VALUED ENERGY-SWITCHING POTENTIAL-ENERGY SURFACE(H), Chemical physics letters, 278(4-6), 1997, pp. 325-332
SPECTRAL QUANTIZATION OF TRANSITION-STATE RESONANCES IN COLLINEAR MU-2 AND MN+D-2 COLLISIONS(H)
Authors: VARANDAS AJC YU HG
Citation: Ajc. Varandas et Hg. Yu, SPECTRAL QUANTIZATION OF TRANSITION-STATE RESONANCES IN COLLINEAR MU-2 AND MN+D-2 COLLISIONS(H), Chemical physics, 209(1), 1996, pp. 31-40
DYNAMICS STUDY OF THE H+ARO2 MULTICHANNEL REACTION
Authors: MARQUES JMC WANG W PAIS AACC VARANDAS AJC
Citation: Jmc. Marques et al., DYNAMICS STUDY OF THE H+ARO2 MULTICHANNEL REACTION, Journal of physical chemistry, 100(44), 1996, pp. 17513-17522
3-DIMENSIONAL TIME-DEPENDENT WAVEPACKET CALCULATION OF THE TRANSITION-STATE RESONANCES FOR MUH(2) AND MUD(2) - RESONANCE ENERGIES AND WIDTHS
Authors: YU HG VARANDAS AJC
Citation: Hg. Yu et Ajc. Varandas, 3-DIMENSIONAL TIME-DEPENDENT WAVEPACKET CALCULATION OF THE TRANSITION-STATE RESONANCES FOR MUH(2) AND MUD(2) - RESONANCE ENERGIES AND WIDTHS, Journal of physical chemistry, 100(35), 1996, pp. 14598-14601
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