Visualizing Molecular Phase Space: Nonstatistical Effects in Reaction Dynamics

Reviews in Computational Chemistry

Volumn 10, Issue , 1997, Pages 101-176

  Topper, Robert Q ^a  

^a The Cooper Union for the Advancement of Science and Art   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; MOLECULAR DYNAMICS; REACTION RATES;

ARNOLD DIFFUSION; REACTION DYNAMICS;

PHASE SPACE METHODS;

EID: 0031479825     PISSN: 10693599     EISSN: None     Source Type: Book Series    
DOI: None     Document Type: Article

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73. See, for example, D. L. Bunker, J. Chem. Phys., 40, 1946 (1963). Monte Carlo Calculations. IV. Further Studies of Unimolecular Dissociation. D. L. Bunker and M. Pattengill, J. Chem. Phys., 48, 772 (1968). Monte Carlo Calculations. VI. A Re-evaluation of the RRKM Theory of Unimolecular Reaction Rates. W. J. Hase and R. J. Wolf, J. Chem. Phys., 75, 3809 (1981). Trajectory Studies of Model HCCH → H + HCC Dissociation. II. Angular Momenta and Energy Partitioning and the Relation to Non-RRKM Dynamics. D. W. Chandler, W. E. Farneth, and R. N. Zare, J. Chem. Phys., 77, 4447 (1982). A Search for Mode-Selective Chemistry: The Unimolecular Dissociation of t-Butyl Hydroperoxide Induced by Vibrational Overtone Excitation. J. A. Syage, P. M. Felker, and A. H. Zewail, J. Chem. Phys., 81, 2233 (1984). Picosecond Dynamics and Photoisomerization of Stilbene in Supersonic Beams. II. Reaction Rates and Potential Energy Surface. D. B. Borchardt and S. H. Bauer, J. Chem. Phys., 85, 4980 (1986). Intramolecular Conversions Over Low Barriers. VII. The Aziridine Inversion - Intrinsically Non-RRKM. A. H. Zewail and R. B. Bernstein, Chem. Eng. News, Nov. 7, 1988, p. 24. Real-Time Laser Femtochemistry: Viewing the Transition from Reagents to Products.
74. See, for example, D. L. Bunker, J. Chem. Phys., 40, 1946 (1963). Monte Carlo Calculations. IV. Further Studies of Unimolecular Dissociation. D. L. Bunker and M. Pattengill, J. Chem. Phys., 48, 772 (1968). Monte Carlo Calculations. VI. A Re-evaluation of the RRKM Theory of Unimolecular Reaction Rates. W. J. Hase and R. J. Wolf, J. Chem. Phys., 75, 3809 (1981). Trajectory Studies of Model HCCH → H + HCC Dissociation. II. Angular Momenta and Energy Partitioning and the Relation to Non-RRKM Dynamics. D. W. Chandler, W. E. Farneth, and R. N. Zare, J. Chem. Phys., 77, 4447 (1982). A Search for Mode-Selective Chemistry: The Unimolecular Dissociation of t-Butyl Hydroperoxide Induced by Vibrational Overtone Excitation. J. A. Syage, P. M. Felker, and A. H. Zewail, J. Chem. Phys., 81, 2233 (1984). Picosecond Dynamics and Photoisomerization of Stilbene in Supersonic Beams. II. Reaction Rates and Potential Energy Surface. D. B. Borchardt and S. H. Bauer, J. Chem. Phys., 85, 4980 (1986). Intramolecular Conversions Over Low Barriers. VII. The Aziridine Inversion - Intrinsically Non-RRKM. A. H. Zewail and R. B. Bernstein, Chem. Eng. News, Nov. 7, 1988, p. 24. Real-Time Laser Femtochemistry: Viewing the Transition from Reagents to Products.
75. See, for example, D. L. Bunker, J. Chem. Phys., 40, 1946 (1963). Monte Carlo Calculations. IV. Further Studies of Unimolecular Dissociation. D. L. Bunker and M. Pattengill, J. Chem. Phys., 48, 772 (1968). Monte Carlo Calculations. VI. A Re-evaluation of the RRKM Theory of Unimolecular Reaction Rates. W. J. Hase and R. J. Wolf, J. Chem. Phys., 75, 3809 (1981). Trajectory Studies of Model HCCH → H + HCC Dissociation. II. Angular Momenta and Energy Partitioning and the Relation to Non-RRKM Dynamics. D. W. Chandler, W. E. Farneth, and R. N. Zare, J. Chem. Phys., 77, 4447 (1982). A Search for Mode-Selective Chemistry: The Unimolecular Dissociation of t-Butyl Hydroperoxide Induced by Vibrational Overtone Excitation. J. A. Syage, P. M. Felker, and A. H. Zewail, J. Chem. Phys., 81, 2233 (1984). Picosecond Dynamics and Photoisomerization of Stilbene in Supersonic Beams. II. Reaction Rates and Potential Energy Surface. D. B. Borchardt and S. H. Bauer, J. Chem. Phys., 85, 4980 (1986). Intramolecular Conversions Over Low Barriers. VII. The Aziridine Inversion - Intrinsically Non-RRKM. A. H. Zewail and R. B. Bernstein, Chem. Eng. News, Nov. 7, 1988, p. 24. Real-Time Laser Femtochemistry: Viewing the Transition from Reagents to Products.
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