Quantum Chemistry of FLPs and Their Activation of Small Molecules: Methodological Aspects
Schirmer B, Grimme S
Research article (book contribution) | Peer reviewedDetails about the publication
Editors: Erker G, Stephan DW
Book title: Frustrated Lewis Pairs I (Volume 332)
Page range: 213-230
Publisher: Springer VDI Verlag
Title of series: Topics in Current Chemistry
Status: Published
Release year: 2013 (04/01/2013)
Language in which the publication is written: English
ISBN: 978-3-642-36696-3
DOI: 10.1007/128_2012_389
Link to the full text: http://dx.doi.org/10.1007/128_2012_389
Keywords: (SCS-)MP2; Calculations; DFT; FLP; Free enthalpy calculations; H2-activation; London dispersion; Solvent effects
Promotionen, aus denen die Publikation resultiert
| Frustrated Lewis Pairs - Quantum Chemical Investigation of Structures, Reactions and Mechanisms Candidate: Schirmer, Birgitta | Supervisors: Grimme, Stefan; Erker, Gerhard Period of time: 01/08/2009 - 12/04/2013 Doctoral examination procedure finished at: Doctoral examination procedure at University of Münster |