Tunnelling in Molecules (eBook)

Nuclear Quantum Effects from Bio to Physical Chemistry

Johannes Kästner, Sebastian Kozuch (Herausgeber)

eBook Download: PDF

2020
436 Seiten
Royal Society of Chemistry (Verlag)
978-1-83916-037-0 (ISBN)

Infos

For the theoretical and experimental chemist, this book provides a broad and conceptual perspective of the quantum tunnelling effect applied to the reactivity of molecules.

Inhalt

Direct observation of tunnelling reactions by matrix isolation spectroscopy; Heavy atom tunnelling in organic transformations; Tunnelling instability in molecular systems: an exercise in computational chemistry prediction power; Proton tunnelling and proton-coupled electron transfer in biological systems: theory and experimental analysis; From tunnelling control to controlling tunnelling; From nuclear fluxes during tunnelling to electronic fluxes during charge migration; Tunnelling and parity violation in chiral and achiral molecules: theory and high resolution spectroscopy; Instanton theory to calculate tunnelling rates and tunnelling splittings; Semiclassical multidimensional tunnelling calculations; Evaluation of tunnelling splittings by direct diagonalization methods. An overview.; Quantum-dynamical calculation of rate constants in polyatomic reactions employing the quantum transition state concept; Eigenstate approaches for high resolution spectroscopy of tunnelling in small molecular systems; The tunnelling flight time

Produkt-Details

• Erscheint lt. Verlag: 22.9.2020
• Reihe/Serie: ISSN
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Naturwissenschaften ► Physik / Astronomie ► Quantenphysik
• Schlagworte: Computational • Experimental • particle • quantum • Theoretical • Wave
• ISBN-10: 1-83916-037-3 / 1839160373
• ISBN-13: 978-1-83916-037-0 / 9781839160370