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Results: 1-15 |
Results: 15
TRAJECTORY STUDY OF PHOTODISSOCIATION DYNAMICS IN THE NAI(H2O) CLUSTER SYSTEM
Authors: PESLHERBE GH LADANYI BM HYNES JT
Citation: Gh. Peslherbe et al., TRAJECTORY STUDY OF PHOTODISSOCIATION DYNAMICS IN THE NAI(H2O) CLUSTER SYSTEM, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 102(23), 1998, pp. 4100-4110
ON THE PHOTODISSOCIATION OF ALKALI-METAL HALIDES IN SOLUTION
Authors: PESLHERBE GH BIANCO R HYNES JT LADANYI BM
Citation: Gh. Peslherbe et al., ON THE PHOTODISSOCIATION OF ALKALI-METAL HALIDES IN SOLUTION, Journal of the Chemical Society. Faraday transactions, 93(5), 1997, pp. 977-988
LINEAR FREE-ENERGY OF ACTIVATION RELATIONSHIP FOR BARRIERLESS ASSOCIATION REACTIONS
Authors: DESAINTECLAIRE P PESLHERBE GH WANG HB HASE WL
Citation: P. Desainteclaire et al., LINEAR FREE-ENERGY OF ACTIVATION RELATIONSHIP FOR BARRIERLESS ASSOCIATION REACTIONS, Journal of the American Chemical Society, 119(21), 1997, pp. 5007-5012
QUASI-CLASSICAL TRAJECTORY CALCULATIONS FOR THE OH(X(2)PI) AND OD(X(2)PI)- ENERGY PARTITIONING AND RATE CONSTANTS(HBR REACTIONS )
Authors: NIZAMOV B SETSER DW WANG H PESLHERBE GH HASE WL
Citation: B. Nizamov et al., QUASI-CLASSICAL TRAJECTORY CALCULATIONS FOR THE OH(X(2)PI) AND OD(X(2)PI)- ENERGY PARTITIONING AND RATE CONSTANTS(HBR REACTIONS ), The Journal of chemical physics, 105(22), 1996, pp. 9897-9911
STATISTICAL ANHARMONIC UNIMOLECULAR RATE CONSTANTS FOR THE DISSOCIATION OF FLUXIONAL MOLECULES - APPLICATION TO ALUMINUM CLUSTERS
Authors: PESLHERBE GH HASE WL
Citation: Gh. Peslherbe et Wl. Hase, STATISTICAL ANHARMONIC UNIMOLECULAR RATE CONSTANTS FOR THE DISSOCIATION OF FLUXIONAL MOLECULES - APPLICATION TO ALUMINUM CLUSTERS, The Journal of chemical physics, 105(17), 1996, pp. 7432-7447
COMPARISON OF ZERO-POINT ENERGY CONSTRAINED AND QUANTUM ANHARMONIC RICE-RAMSPERGER-KASSEL-MARCUS AND PHASE-SPACE THEORY RATE CONSTANTS FOR AL-3 DISSOCIATION
Authors: PESLHERBE GH HASE WL
Citation: Gh. Peslherbe et Wl. Hase, COMPARISON OF ZERO-POINT ENERGY CONSTRAINED AND QUANTUM ANHARMONIC RICE-RAMSPERGER-KASSEL-MARCUS AND PHASE-SPACE THEORY RATE CONSTANTS FOR AL-3 DISSOCIATION, The Journal of chemical physics, 104(23), 1996, pp. 9445-9460
SEMIEMPIRICAL MNDO, AM1, AND PM3 DIRECT DYNAMICS TRAJECTORY STUDIES OF FORMALDEHYDE UNIMOLECULAR DISSOCIATION
Authors: PESLHERBE GH HASE WL
Citation: Gh. Peslherbe et Wl. Hase, SEMIEMPIRICAL MNDO, AM1, AND PM3 DIRECT DYNAMICS TRAJECTORY STUDIES OF FORMALDEHYDE UNIMOLECULAR DISSOCIATION, The Journal of chemical physics, 104(20), 1996, pp. 7882-7894
TRAJECTORY STUDIES OF S(N)2 NUCLEOPHILIC-SUBSTITUTION .5. SEMIEMPIRICAL DIRECT DYNAMICS OF CL-CH3BR UNIMOLECULAR DECOMPOSITION
Authors: PESLHERBE GH WANG HB HASE WL
Citation: Gh. Peslherbe et al., TRAJECTORY STUDIES OF S(N)2 NUCLEOPHILIC-SUBSTITUTION .5. SEMIEMPIRICAL DIRECT DYNAMICS OF CL-CH3BR UNIMOLECULAR DECOMPOSITION, Journal of the American Chemical Society, 118(9), 1996, pp. 2257-2266
DIRECT DYNAMICS SIMULATION OF THE LIFETIME OF TRIMETHYLENE
Authors: DOUBLEDAY C BOLTON K PESLHERBE GH HASE WL
Citation: C. Doubleday et al., DIRECT DYNAMICS SIMULATION OF THE LIFETIME OF TRIMETHYLENE, Journal of the American Chemical Society, 118(41), 1996, pp. 9922-9931
ENERGY-TRANSFER DYNAMICS IN THE COLLISION-INDUCED DISSOCIATION OF AL-6 AND AL-13 CLUSTERS
Authors: DESAINTECLAIRE P PESLHERBE GH HASE WL
Citation: P. Desainteclaire et al., ENERGY-TRANSFER DYNAMICS IN THE COLLISION-INDUCED DISSOCIATION OF AL-6 AND AL-13 CLUSTERS, Journal of physical chemistry, 99(20), 1995, pp. 8147-8161
COMPARISON OF QUANTUM AND SEMICLASSICAL VARIATIONAL TRANSITION-STATE MODELS FOR THE HO2-]H-2 MICROCANONICAL RATE-CONSTANT(O)
Authors: SONG KY PESLHERBE GH HASE WL DOBBYN AJ STUMPF M SCHINKE R
Citation: Ky. Song et al., COMPARISON OF QUANTUM AND SEMICLASSICAL VARIATIONAL TRANSITION-STATE MODELS FOR THE HO2-]H-2 MICROCANONICAL RATE-CONSTANT(O), The Journal of chemical physics, 103(20), 1995, pp. 8891-8900
UNIMOLECULAR DYNAMICS OF CL-CENTER-DOT-CENTER-DOT-CENTER-DOT-CH3CL INTERMOLECULAR COMPLEXES FORMED BY CL-+CH3CL ASSOCIATION
Authors: PESLHERBE GH WANG H HASE WL
Citation: Gh. Peslherbe et al., UNIMOLECULAR DYNAMICS OF CL-CENTER-DOT-CENTER-DOT-CENTER-DOT-CH3CL INTERMOLECULAR COMPLEXES FORMED BY CL-+CH3CL ASSOCIATION, The Journal of chemical physics, 102(14), 1995, pp. 5626-5635
A COMPARISON OF CLASSICAL TRAJECTORY AND STATISTICAL UNIMOLECULAR RATE THEORY CALCULATIONS OF AL-3 DECOMPOSITION
Authors: PESLHERBE GH HASE WL
Citation: Gh. Peslherbe et Wl. Hase, A COMPARISON OF CLASSICAL TRAJECTORY AND STATISTICAL UNIMOLECULAR RATE THEORY CALCULATIONS OF AL-3 DECOMPOSITION, The Journal of chemical physics, 101(10), 1994, pp. 8535-8553
ANALYSIS AND EXTENSION OF A MODEL FOR CONSTRAINING ZERO-POINT ENERGY-FLOW IN CLASSICAL TRAJECTORY SIMULATIONS
Authors: PESLHERBE GH HASE WL
Citation: Gh. Peslherbe et Wl. Hase, ANALYSIS AND EXTENSION OF A MODEL FOR CONSTRAINING ZERO-POINT ENERGY-FLOW IN CLASSICAL TRAJECTORY SIMULATIONS, The Journal of chemical physics, 100(2), 1994, pp. 1179-1189
TRAJECTORY STUDIES OF S(N)2 NUCLEOPHILIC-SUBSTITUTION .4. INTRAMOLECULAR AND UNIMOLECULAR DYNAMICS OF THE CL-...CH3BR AND CLCH3...BR- COMPLEXES
Authors: WANG HB PESLHERBE GH HASE WL
Citation: Hb. Wang et al., TRAJECTORY STUDIES OF S(N)2 NUCLEOPHILIC-SUBSTITUTION .4. INTRAMOLECULAR AND UNIMOLECULAR DYNAMICS OF THE CL-...CH3BR AND CLCH3...BR- COMPLEXES, Journal of the American Chemical Society, 116(21), 1994, pp. 9644-9651
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