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Results: 1-17 |
Results: 17
AN ANALYTICAL REPRESENTATION OF THE GROUND POTENTIAL-ENERGY SURFACE ((2)A') OF THE H-2-HCL+CL AND CL+HCL-]HCL+CL REACTIONS, BASED ON AB-INITIO CALCULATIONS(CL)
Authors: GONZALEZ M HIJAZO J NOVOA JJ SAYOS R
Citation: M. Gonzalez et al., AN ANALYTICAL REPRESENTATION OF THE GROUND POTENTIAL-ENERGY SURFACE ((2)A') OF THE H-2-HCL+CL AND CL+HCL-]HCL+CL REACTIONS, BASED ON AB-INITIO CALCULATIONS(CL), The Journal of chemical physics, 108(8), 1998, pp. 3168-3177
VARIATIONAL TRANSITION-STATE CALCULATION OF THE RATE CONSTANTS FOR THE N(S-4(U))-2(X-3-SIGMA(-)(G))-]NO(X-2-PI)+O(P-3(G)) REACTION AND ITS REVERSE BETWEEN 300 AND 5000 K(O)
Authors: SAYOS R HIJAZO J GILIBERT M GONZALEZ M
Citation: R. Sayos et al., VARIATIONAL TRANSITION-STATE CALCULATION OF THE RATE CONSTANTS FOR THE N(S-4(U))-2(X-3-SIGMA(-)(G))-]NO(X-2-PI)+O(P-3(G)) REACTION AND ITS REVERSE BETWEEN 300 AND 5000 K(O), Chemical physics letters, 284(1-2), 1998, pp. 101-108
POTENTIAL-ENERGY SURFACE OF THE O(D-1)-]2NO, O-2+N-2 REACTIONS(N2O)
Authors: LAST I AGUILAR A SAYOS R GONZALEZ M GILIBERT M
Citation: I. Last et al., POTENTIAL-ENERGY SURFACE OF THE O(D-1)-]2NO, O-2+N-2 REACTIONS(N2O), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(7), 1997, pp. 1206-1215
DYNAMICS OF THE 4-ATOM BO-2-]HBO+H REACTION - POTENTIAL-ENERGY SURFACE AND REACTION SELECTIVITY FROM QCT CALCULATIONS(H)
Authors: SOGAS J ALBERTI M GIMENEZ X SAYOS R AGUILAR A
Citation: J. Sogas et al., DYNAMICS OF THE 4-ATOM BO-2-]HBO+H REACTION - POTENTIAL-ENERGY SURFACE AND REACTION SELECTIVITY FROM QCT CALCULATIONS(H), The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(47), 1997, pp. 8877-8886
QUASI-CLASSICAL TRAJECTORY STUDY OF MOLECULAR ALIGNMENT EFFECTS ON THE DYNAMICS OF THE REACTIONS OF CL, BR, AND I WITH H-2
Authors: GONZALEZ M SIERRA JD FRANCIA R SAYOS R
Citation: M. Gonzalez et al., QUASI-CLASSICAL TRAJECTORY STUDY OF MOLECULAR ALIGNMENT EFFECTS ON THE DYNAMICS OF THE REACTIONS OF CL, BR, AND I WITH H-2, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(41), 1997, pp. 7513-7521
AN AB-INITIO ANALYTICAL POTENTIAL-ENERGY SURFACE FOR THE O(P-3)-]CO(X(1)SIGMA(+))+S(P-3) REACTION USEFUL FOR KINETIC AND DYNAMICAL STUDIES(CS(X(1)SIGMA(+)))
Authors: GONZALEZ M HIJAZO J NOVOA JJ SAYOS R
Citation: M. Gonzalez et al., AN AB-INITIO ANALYTICAL POTENTIAL-ENERGY SURFACE FOR THE O(P-3)-]CO(X(1)SIGMA(+))+S(P-3) REACTION USEFUL FOR KINETIC AND DYNAMICAL STUDIES(CS(X(1)SIGMA(+))), The Journal of chemical physics, 105(24), 1996, pp. 10999-11006
INFLUENCE OF THE POTENTIAL-ENERGY SURFACE ON THE REACTION CROSS-SECTION - THE K-]KF+H SYSTEM(HF)
Authors: GONZALEZ M GILIBERT M AGUILAR A SAYOS R
Citation: M. Gonzalez et al., INFLUENCE OF THE POTENTIAL-ENERGY SURFACE ON THE REACTION CROSS-SECTION - THE K-]KF+H SYSTEM(HF), Chemical physics, 200(3), 1995, pp. 289-308
A COMPARISON BETWEEN EXPERIMENTAL, QUANTUM AND QUASI-CLASSICAL PROPERTIES FOR THE N(S-4)-2(X(3)SIGMA(G))-]NO(X(2)PI)+O(P-3) REACTION(O)
Authors: GILIBERT M GIMENEZ X GONZALEZ M SAYOS R AGUILAR A
Citation: M. Gilibert et al., A COMPARISON BETWEEN EXPERIMENTAL, QUANTUM AND QUASI-CLASSICAL PROPERTIES FOR THE N(S-4)-2(X(3)SIGMA(G))-]NO(X(2)PI)+O(P-3) REACTION(O), Chemical physics, 191(1-3), 1995, pp. 1-15
DYNAMICS OF THE N(S-4)-]N-2(X (1)SIGMA(+)(G))+O(P-3) ATMOSPHERIC REACTION ON THE (3)A'' GROUND POTENTIAL-ENERGY SURFACE .3. QUANTUM DYNAMICAL STUDY AND COMPARISON WITH QUASI-CLASSICAL AND EXPERIMENTAL RESULTS(NO(X (2)PI))
Authors: AGUILAR A GILIBERT M GIMENEZ X GONZALEZ M SAYOS R
Citation: A. Aguilar et al., DYNAMICS OF THE N(S-4)-]N-2(X (1)SIGMA(+)(G))+O(P-3) ATMOSPHERIC REACTION ON THE (3)A'' GROUND POTENTIAL-ENERGY SURFACE .3. QUANTUM DYNAMICAL STUDY AND COMPARISON WITH QUASI-CLASSICAL AND EXPERIMENTAL RESULTS(NO(X (2)PI)), The Journal of chemical physics, 103(11), 1995, pp. 4496-4508
AB-INITIO STUDY OF THE LOWEST 3A' AND 3A'' POTENTIAL-ENERGY SURFACES INVOLVED IN THE O((3)P)-]CO(X(1)SIGMA(+))+S((3)P) REACTION(CS(X(1)SIGMA(+)))
Authors: HIJAZO J GONZALEZ M SAYOS R NOVOA JJ
Citation: J. Hijazo et al., AB-INITIO STUDY OF THE LOWEST 3A' AND 3A'' POTENTIAL-ENERGY SURFACES INVOLVED IN THE O((3)P)-]CO(X(1)SIGMA(+))+S((3)P) REACTION(CS(X(1)SIGMA(+))), Chemical physics letters, 222(1-2), 1994, pp. 15-24
CROSSED MOLECULAR-BEAMS STUDY OF THE M-1)+NA(3S-2)-]M+(S-1)+NA(3P-2) COLLISION SYSTEMS (M+=LI+, NA+, K+, CS+) IN THE 0.05-3.00 KEV ENERGY-RANGE((S)
Authors: AGUILAR A ALBERTI M DEANDRES J GILIBERT M GIMENEZ X GONZALEZ M LUCAS JM PRIETO M SAYOS R SOLE A
Citation: A. Aguilar et al., CROSSED MOLECULAR-BEAMS STUDY OF THE M-1)+NA(3S-2)-]M+(S-1)+NA(3P-2) COLLISION SYSTEMS (M+=LI+, NA+, K+, CS+) IN THE 0.05-3.00 KEV ENERGY-RANGE((S), Chemical physics letters, 220(3-5), 1994, pp. 267-273
ORIENTATIONAL DEPENDENCE OF THE N(S-4)-4)+O-2(X(3)SIGMA(G)-) REACTIONS - COMPARISON OF THE ANGLE-DEPENDENT LINE-OF-CENTERS MODEL WITH QUASI-CLASSICAL TRAJECTORIES(NO(X(2)PI) AND N(S)
Authors: SAYOS R AGUILAR A GILIBERT M GONZALEZ M
Citation: R. Sayos et al., ORIENTATIONAL DEPENDENCE OF THE N(S-4)-4)+O-2(X(3)SIGMA(G)-) REACTIONS - COMPARISON OF THE ANGLE-DEPENDENT LINE-OF-CENTERS MODEL WITH QUASI-CLASSICAL TRAJECTORIES(NO(X(2)PI) AND N(S), Journal of the Chemical Society. Faraday transactions, 89(17), 1993, pp. 3223-3234
ANALYSIS OF PRODUCT DOPPLER-BROADENED PROFILES GENERATED FROM PHOTOINITIATED BIMOLECULAR REACTIONS
Authors: AOIZ FJ BROUARD M ENRIQUEZ PA SAYOS R
Citation: Fj. Aoiz et al., ANALYSIS OF PRODUCT DOPPLER-BROADENED PROFILES GENERATED FROM PHOTOINITIATED BIMOLECULAR REACTIONS, Journal of the Chemical Society. Faraday transactions, 89(10), 1993, pp. 1427-1434
A QUASI-CLASSICAL TRAJECTORY STUDY OF THE EFFECT OF THE INITIAL ROVIBRATIONAL LEVEL AND RELATIVE TRANSLATIONAL ENERGY OF REACTANTS ON THE DYNAMICS OF THE N(S-4(U))-2(X(3)SIGMA(G)(-))-]NO(X(2)PI)+O(P-3(G)) ATMOSPHERIC REACTION ON THE (2)A' GROUND POTENTIAL-ENERGY SURFACE(O)
Authors: GILIBERT M AGUILAR A GONZALEZ M SAYOS R
Citation: M. Gilibert et al., A QUASI-CLASSICAL TRAJECTORY STUDY OF THE EFFECT OF THE INITIAL ROVIBRATIONAL LEVEL AND RELATIVE TRANSLATIONAL ENERGY OF REACTANTS ON THE DYNAMICS OF THE N(S-4(U))-2(X(3)SIGMA(G)(-))-]NO(X(2)PI)+O(P-3(G)) ATMOSPHERIC REACTION ON THE (2)A' GROUND POTENTIAL-ENERGY SURFACE(O), Chemical physics, 178(1-3), 1993, pp. 287-303
QUASI-CLASSICAL TRAJECTORY STUDY OF THE N(S-4(U))-2(X 3-SIGMA-G-)-]NO(X 2-PI)+O(P-3(G)) ATMOSPHERIC REACTION ON THE (2)A' GROUND POTENTIAL-ENERGY SURFACE EMPLOYING AN ANALYTICAL SORBIE-MURRELL POTENTIAL(O)
Authors: GILIBERT M AGUILAR A GONZALEZ M SAYOS R
Citation: M. Gilibert et al., QUASI-CLASSICAL TRAJECTORY STUDY OF THE N(S-4(U))-2(X 3-SIGMA-G-)-]NO(X 2-PI)+O(P-3(G)) ATMOSPHERIC REACTION ON THE (2)A' GROUND POTENTIAL-ENERGY SURFACE EMPLOYING AN ANALYTICAL SORBIE-MURRELL POTENTIAL(O), Chemical physics, 172(1), 1993, pp. 99-115
DYNAMICS OF THE N(S-4(U))-]N(2)(X(1)SIGMA(G)+)+O(P-3(G)) ATMOSPHERIC REACTION ON THE (3)A'' GROUND POTENTIAL-ENERGY SURFACE .2. THE EFFECT OF REAGENT TRANSLATIONAL, VIBRATIONAL, AND ROTATIONAL ENERGIES(NO(X(2)PI))
Authors: GILIBERT M AGUILAR A GONZALEZ M SAYOS R
Citation: M. Gilibert et al., DYNAMICS OF THE N(S-4(U))-]N(2)(X(1)SIGMA(G)+)+O(P-3(G)) ATMOSPHERIC REACTION ON THE (3)A'' GROUND POTENTIAL-ENERGY SURFACE .2. THE EFFECT OF REAGENT TRANSLATIONAL, VIBRATIONAL, AND ROTATIONAL ENERGIES(NO(X(2)PI)), The Journal of chemical physics, 99(3), 1993, pp. 1719-1733
QUASI-CLASSICAL TRAJECTORY STUDY OF THE DYNAMICS OF THE REACTION O(3P) -SIGMA-G+) -] CS(X1-SIGMA+) + SO(X3-SIGMA-) USING 2 MODEL POTENTIAL-ENERGY SURFACES( CS2(X1)
Authors: AGUILAR A GONZALEZ M ILLAS F RUBIO J SAYOS R
Citation: A. Aguilar et al., QUASI-CLASSICAL TRAJECTORY STUDY OF THE DYNAMICS OF THE REACTION O(3P) -SIGMA-G+) -] CS(X1-SIGMA+) + SO(X3-SIGMA-) USING 2 MODEL POTENTIAL-ENERGY SURFACES( CS2(X1), Chemical physics, 161(1-2), 1992, pp. 99-126
Risultati: 1-17 |