Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations
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9781849736503

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Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-fp009 ◽

2013 ◽

pp. 9-19

CHAPTER 12. Semi-Classical Treatments of Electron Transfer Rate from Weak to Strong Electronic Coupling Regime

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-00283 ◽

2013 ◽

pp. 283-318

Author(s):

Yi Zhao

Keyword(s):

Electron Transfer ◽

Transfer Rate ◽

Electronic Coupling ◽

Electron Transfer Rate

CHAPTER 6. Adiabatic Treatment of Torsional Anharmonicity and Mode Coupling in Molecular Partition Functions and Statistical Rate Coefficients: Application to Hydrogen Peroxide

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-00133 ◽

2013 ◽

pp. 133-153

Author(s):

Zeb C. Kramer ◽

Rex T. Skodje

Keyword(s):

Hydrogen Peroxide ◽

Mode Coupling ◽

Rate Coefficients ◽

Partition Functions

CHAPTER 20. Computation of Intrinsic RRKM and Non-RRKM Unimolecular Rate Constants

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-00494 ◽

2013 ◽

pp. 494-529

Author(s):

Amit Kumar Paul ◽

Sujitha Kolakkandy ◽

Subha Pratihar ◽

William L. Hase

Keyword(s):

Rate Constants

CHAPTER 17. Putting Together the Pieces: A Global Description of Valence and Long-Range Forces via Combined Hyperbolic Inverse Power Representation of the Potential Energy Surface

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-00408 ◽

2013 ◽

pp. 408-445 ◽

Cited By ~ 3

Author(s):

A. J. C. Varandas

Keyword(s):

Potential Energy ◽

Potential Energy Surface ◽

Long Range ◽

Energy Surface ◽

Inverse Power

CHAPTER 16. Molecular Modelling of Proton Transfer Kinetics in Biological Systems

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-00379 ◽

2013 ◽

pp. 379-407

Author(s):

Patrick Bertrand

Keyword(s):

Proton Transfer ◽

Molecular Modelling ◽

Biological Systems

CHAPTER 14. Time-Dependent Treatment of SVRT Model for Polyatom–Polyatom Reaction

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-00337 ◽

2013 ◽

pp. 337-351

Author(s):

John Z. H. Zhang

Keyword(s):

Time Dependent ◽

Svrt Model

CHAPTER 8. Derivation of Rate Constants from Accurate Quantum Wave Packet Theory for Nonadiabatic and Adiabatic Chemical Reactions

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-00180 ◽

2013 ◽

pp. 180-212

Author(s):

Tianshu Chu ◽

Keli Han

Keyword(s):

Wave Packet ◽

Chemical Reactions ◽

Rate Constants ◽

Quantum Wave

Front Matter

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-fp001 ◽

2013 ◽

pp. P001-P004

Subject Index

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations ◽

10.1039/9781849737753-00550 ◽

2013 ◽

pp. 550-572

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations
Latest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Contents

CHAPTER 12. Semi-Classical Treatments of Electron Transfer Rate from Weak to Strong Electronic Coupling Regime

CHAPTER 6. Adiabatic Treatment of Torsional Anharmonicity and Mode Coupling in Molecular Partition Functions and Statistical Rate Coefficients: Application to Hydrogen Peroxide

CHAPTER 20. Computation of Intrinsic RRKM and Non-RRKM Unimolecular Rate Constants

CHAPTER 17. Putting Together the Pieces: A Global Description of Valence and Long-Range Forces via Combined Hyperbolic Inverse Power Representation of the Potential Energy Surface

CHAPTER 16. Molecular Modelling of Proton Transfer Kinetics in Biological Systems

CHAPTER 14. Time-Dependent Treatment of SVRT Model for Polyatom–Polyatom Reaction

CHAPTER 8. Derivation of Rate Constants from Accurate Quantum Wave Packet Theory for Nonadiabatic and Adiabatic Chemical Reactions

Front Matter

Subject Index

Export Citation Format

Theoretical and Computational Chemistry Series - Reaction Rate Constant ComputationsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Contents

CHAPTER 12. Semi-Classical Treatments of Electron Transfer Rate from Weak to Strong Electronic Coupling Regime

CHAPTER 6. Adiabatic Treatment of Torsional Anharmonicity and Mode Coupling in Molecular Partition Functions and Statistical Rate Coefficients: Application to Hydrogen Peroxide

CHAPTER 20. Computation of Intrinsic RRKM and Non-RRKM Unimolecular Rate Constants

CHAPTER 17. Putting Together the Pieces: A Global Description of Valence and Long-Range Forces via Combined Hyperbolic Inverse Power Representation of the Potential Energy Surface

CHAPTER 16. Molecular Modelling of Proton Transfer Kinetics in Biological Systems

CHAPTER 14. Time-Dependent Treatment of SVRT Model for Polyatom–Polyatom Reaction

CHAPTER 8. Derivation of Rate Constants from Accurate Quantum Wave Packet Theory for Nonadiabatic and Adiabatic Chemical Reactions

Front Matter

Subject Index

Theoretical and Computational Chemistry Series - Reaction Rate Constant Computations
Latest Publications