Chemical reactivity in confined systems: theory, modelling and applications

Cover -- Title Page -- Copyright -- Contents -- Preface -- List of Contributors -- Chapter 1 Effect of Confinement on the Translation‐Rotation Motion of Molecules: The Inelastic Neutron Scattering Selection Rule -- 1.1 Introduction -- 1.2 Diatomics in C60: Entanglement, TR Coupling, Symmetry, Basis...

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Weitere Verfasser: Chattaraj, Pratim Kumar (HerausgeberIn), Chakraborty, Debdutta (HerausgeberIn)
Format: Buch
Sprache:English
Veröffentlicht: Hoboken Wiley 2021
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Zusammenfassung:Cover -- Title Page -- Copyright -- Contents -- Preface -- List of Contributors -- Chapter 1 Effect of Confinement on the Translation‐Rotation Motion of Molecules: The Inelastic Neutron Scattering Selection Rule -- 1.1 Introduction -- 1.2 Diatomics in C60: Entanglement, TR Coupling, Symmetry, Basis Representation, and Energy Level Structure -- 1.2.1 Entanglement Induced Selection Rules -- 1.2.2 H@C60 -- 1.2.3 H2@C60 -- 1.2.3.1 Symmetry -- 1.2.3.2 Spherical Basis and Eigenstates -- 1.2.3.3 Energy Level Ordering with Respect to λ -- 1.2.4 HX@C60 -- 1.3 INS Selection Rule for Spherical (Kh) Symmetry -- 1.3.1 Inelastic Neutron Scattering -- 1.3.2 Group Theory Derivation of the INS Selection Rule -- 1.3.2.1 Group‐Theory‐Based INS Selection Rule for Cylindrical (C∞v) Environments -- 1.3.2.2 Group‐Theory‐Based INS Selection Rule for Spherical (Kh) Environments -- 1.3.3 Specific Systems, Quantum Numbers, and Basis Sets -- 1.3.3.1 H@sphere -- 1.3.3.2 H2@sphere -- 1.3.3.3 HX@sphere -- 1.3.4 Beyond Diatomic Molecules -- 1.3.4.1 H2O@sphere -- 1.3.4.2 CH4@sphere -- 1.3.4.3 Any Guest Molecule in any Spherical (Kh) Environment -- 1.4 INS Selection Rules for Non‐Spherical Structures -- 1.5 Summary and Conclusions -- Acknowledgments -- References -- Chapter 2 Pressure‐Induced Phase Transitions -- 2.1 Pressure, A Property of All Flavours, and Its Importance for the Universe and Life -- 2.2 Pressure: Isotropic and Anisotropic, Positive and Negative -- 2.3 Changes of the State of Matter -- 2.4 Compression of Solids -- 2.4.1 Isotropic or Anisotropic Compressibility -- 2.4.2 Negative Linear Compressibility -- 2.4.3 Negative Area Compressibility -- 2.4.4 Anomalous Compressibility Changes at High Pressure -- 2.5 Structural Solid‐Solid Transitions -- 2.5.1 Structural Phase Transitions Accompanied by Volume Collapse -- 2.5.2 Effects of Volume Collapse on Free Energy
Beschreibung:xix, 420 Seiten Illustrationen, Diagramme
ISBN:9781119684022

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