Theoretical and Computational Chemistry Series - Tunnelling in Molecules
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Published By Royal Society Of Chemistry

9781788018708

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Preface

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-fp005 ◽

2020 ◽

pp. P005-P008

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Chapter 12. The Tunnelling Flight Time

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00399 ◽

2020 ◽

pp. 399-424

Author(s):

Eli Pollak

Keyword(s):

Flight Time

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Chapter 8. Semiclassical Multidimensional Tunnelling Calculations

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00261 ◽

2020 ◽

pp. 261-282

Author(s):

Donald G. Truhlar

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Chapter 3. Proton Tunnelling and Proton-coupled Electron Transfer in Biological Systems: Theory and Experimental Analysis

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00088 ◽

2020 ◽

pp. 88-145

Author(s):

Paul M. Champion ◽

Abdelkrim Benabbas

Keyword(s):

Electron Transfer ◽

Systems Theory ◽

Experimental Analysis ◽

Biological Systems ◽

Proton Coupled Electron Transfer

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Chapter 2. Tunnelling Instability in Molecular Systems. An Exercise in Computational Chemistry Prediction Power

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00061 ◽

2020 ◽

pp. 61-87

Author(s):

H. Amlani ◽

A. Frenklah ◽

S. Kozuch

Keyword(s):

Computational Chemistry ◽

Molecular Systems

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Subject Index

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00425 ◽

2020 ◽

pp. 425-435

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Chapter 9. The Calculation of Tunnelling Splittings Illustrated on Malonaldehyde

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00283 ◽

2020 ◽

pp. 283-327

Author(s):

David Ferro-Costas ◽

Antonio Fernández-Ramos

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Chapter 1. Direct Observation of Tunnelling Reactions by Matrix Isolation Spectroscopy

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00001 ◽

2020 ◽

pp. 1-60

Author(s):

Cláudio M. Nunes ◽

Igor Reva ◽

Rui Fausto

Keyword(s):

Direct Observation ◽

Matrix Isolation ◽

Matrix Isolation Spectroscopy

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Chapter 10. Quantum-dynamical Calculation of Rate Constants in Polyatomic Reactions Employing the Quantum Transition State Concept

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00328 ◽

2020 ◽

pp. 328-376

Author(s):

Ralph Welsch

Keyword(s):

Transition State ◽

Rate Constants ◽

Quantum Transition ◽

Quantum Dynamical ◽

Dynamical Calculation

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Chapter 7. Instanton Theory to Calculate Tunnelling Rates and Tunnelling Splittings

Theoretical and Computational Chemistry Series - Tunnelling in Molecules ◽

10.1039/9781839160370-00245 ◽

2020 ◽

pp. 245-260

Author(s):

Viktor Zaverkin ◽

Johannes Kästner

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Theoretical and Computational Chemistry Series - Tunnelling in MoleculesLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Royal Society Of Chemistry

Preface

Chapter 12. The Tunnelling Flight Time

Chapter 8. Semiclassical Multidimensional Tunnelling Calculations

Chapter 3. Proton Tunnelling and Proton-coupled Electron Transfer in Biological Systems: Theory and Experimental Analysis

Chapter 2. Tunnelling Instability in Molecular Systems. An Exercise in Computational Chemistry Prediction Power

Subject Index

Chapter 9. The Calculation of Tunnelling Splittings Illustrated on Malonaldehyde

Chapter 1. Direct Observation of Tunnelling Reactions by Matrix Isolation Spectroscopy

Chapter 10. Quantum-dynamical Calculation of Rate Constants in Polyatomic Reactions Employing the Quantum Transition State Concept

Chapter 7. Instanton Theory to Calculate Tunnelling Rates and Tunnelling Splittings

Theoretical and Computational Chemistry Series - Tunnelling in Molecules
Latest Publications