Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap-Reference-Cited by-同舟云学术

Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap

Published:2014-07-11 Issue:9 Volume:10 Page:3745-3756
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

de Silva Piotr¹,Corminboeuf Clémence¹

Affiliation:

1. Laboratory for Computational Molecular Design, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland

Funder

European Research Council

Swiss National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct500490b

Reference96 articles.

1. Introduction: DelocalizationPi and Sigma

2. Preface

3. Hyperconjugation

4. Quantification of “fuzzy” chemical concepts: a computational perspective

5. Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to Another

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