Quantifying Intra- and Intermolecular Phenomena: Challenging yet Exciting Territory for Quantum Chemistry
2014
Abstract
van der Waals interactions occur in all molecules and intermolecular complexes but are poorly described by the most widely used electronic structure framework. This paper addresses the efforts pursued in our laboratory to improve the performance of standard density functional approximations and deliver modern strategies to analyze and fine-tune the underlying physics of intra- and intermolecular interactions.
Details
Title
Quantifying Intra- and Intermolecular Phenomena: Challenging yet Exciting Territory for Quantum Chemistry
Author(s)
Corminboeuf, C.
Published in
Chimia
Pagination
4
Volume
68
Issue
7-8
Pages
512-515
Date
2014
Publisher
Bern, Swiss Chemical Soc
Other identifier(s)
View record in Web of Science
Laboratories
LCMD
Record Appears in
Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LCMD - Laboratory of Computational Molecular Design
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published
Record creation date
2014-06-26