Chemical modelling covers a wide range of disciplines, and this book is the first stop for any chemist, materials scientist, biochemist, or molecular physicist wishing to acquaint themselves with major developments in the applications and theory of chemical modelling. Containing both comprehensive and critical reviews, it is a convenient reference to the current literature. Coverage includes, but is not limited to, adiabatic connection formalism in DFT, excited states in porous framework materials, proton-coupled electron transfer as a challenge for quantum chemical methods, modelling plasmon-assisted electron dynamics and atomistic modelling of large biological systems and the need for (un-)realistic approaches.
Reihe
Sprache
Verlagsort
Zielgruppe
Für Beruf und Forschung
Für höhere Schule und Studium
Produkt-Hinweis
Maße
Höhe: 234 mm
Breite: 156 mm
Dicke: 13 mm
Gewicht
ISBN-13
978-1-83767-249-3 (9781837672493)
DOI
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Schweitzer Klassifikation
Herausgeber*in
Wuppertal University, Germany
Freie Universitaet Berlin, Germany
The adiabatic connection formalism in DFT: Theory and practice
Electronic orbital responses of extended systems to static, homogeneous, electromagnetic fields
Proton-coupled electron transfer as a challenge for quantum chemical methods
Atomistic modeling of large biological systems and the need for (un-)realistic approaches
Recent advances in modelling plasmon-assisted electron dynamics
A theoretical chemistry approach to vibro-polaritonic chemistry with application to infrared spectroscopy and reaction kinetics
