Chemical Modelling: Volume 18
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.
Chemical Modelling: Volume 18, Royal Society of Chemistry, 2024.
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Table of contents
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The adiabatic connection formalism in DFT – theory and practicep1-17ByElias Polak;Elias PolakaDepartment of Chemistry, Faculty of Science and Medicine, Universit́e de Fribourg/Universität Freiburg, Chemin du Musée 9, CH-1700 Fribourg, SwitzerlandSearch for other works by this author on:Kimberly J. Daas;Kimberly J. DaasbDepartment of Chemistry & Pharmaceutical Sciences and Amsterdam Institute of Molecular and Life Sciences (AIMMS), Faculty of Science, Vrije Universiteit, De Boelelaan 1083, 1081HV Amsterdam, The NetherlandsSearch for other works by this author on:Stefan VuckovicStefan VuckovicaDepartment of Chemistry, Faculty of Science and Medicine, Universit́e de Fribourg/Universität Freiburg, Chemin du Musée 9, CH-1700 Fribourg, Switzerland [email protected]Search for other works by this author on:
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Electronic orbital responses of extended systems to static, homogeneous, electromagnetic fieldsp18-51ByMichael Springborg;Michael SpringborgaLaboratory of Theoretical Chemistry, Department of Chemistry, Namur Institute of Structured Matter (NISM), University of Namur, Rue de hrBruxelles 61, 5000 Namur, Belgium [email protected]Search for other works by this author on:Bernard KirtmanBernard KirtmanbDepartment of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, USA [email protected]Search for other works by this author on:
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Proton-coupled electron transfer as a challenge for quantum chemical methodsp52-75ByDenis G. ArtiukhinDenis G. ArtiukhinInstitut für Chemie und Biochemie, Freie Universität Berlin, Arnimallee 22, 14195 Berlin, Germany [email protected]Search for other works by this author on:
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Atomistic modeling of large biological systems and the need for (un-)realistic approachesp76-101ByJan P. GötzeJan P. GötzeInstitut für Chemie und Biochemie, Freie Universität Berlin, Arnimallee 22, 14195, Berlin [email protected]Search for other works by this author on:
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Recent advances in modelling plasmon-assisted electron dynamicsp102-136ByLeonardo Biancorosso;Leonardo BiancorossoDipartimento di Scienze Chimiche e Farmaceutiche, University of Trieste, via Licio Giorgieri 1, 34127, Trieste, ItalySearch for other works by this author on:Emanuele CocciaEmanuele CocciaDipartimento di Scienze Chimiche e Farmaceutiche, University of Trieste, via Licio Giorgieri 1, 34127, Trieste, Italy [email protected]Search for other works by this author on:
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A theoretical chemistry approach to vibro-polaritonic chemistry with application to infrared spectroscopy and reaction kineticsp137-160ByEric W. Fischer;Eric W. FischeraInstitut für Chemie, Humboldt-Universität zu Berlin, Brook-Taylor-Str. 2, D-12489 Berlin, Germany [email protected]Search for other works by this author on:Peter SaalfrankPeter SaalfrankbInstitut für Chemie, Universität Potsdam, Karl-Liebknecht-Str. 24-25, D-14476 Potsdam-Golm, GermanycInstitut für Physik und Astronomie, Universität Potsdam, Karl-Liebknecht-Str. 24-25, D-14476 Potsdam-Golm, Germany [email protected]Search for other works by this author on:
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