Minimizing Density Functional Failures for Non-Covalent Interactions Beyond van der Waals Complexes-Reference-Cited by-同舟云学术

Minimizing Density Functional Failures for Non-Covalent Interactions Beyond van der Waals Complexes

Published:2014-03-21 Issue:11 Volume:47 Page:3217-3224
ISSN:0001-4842
Container-title:Accounts of Chemical Research
language:en
Short-container-title:Acc. Chem. Res.

Author:

Corminboeuf Clemence¹

Affiliation:

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

Funder

Swiss National Science Foundation

Publisher

American Chemical Society (ACS)

Subject

General Medicine,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ar400303a

Reference61 articles.

1. Stabilization Energies of the Hydrogen-Bonded and Stacked Structures of Nucleic Acid Base Pairs in the Crystal Geometries of CG, AT, and AC DNA Steps and in the NMR Geometry of the 5‘-d(GCGAAGC)-3‘ Hairpin: Complete Basis Set Calculations at the MP2 and CCSD(T) Levels

2. Determinants of a protein fold

3. Can London Dispersion Forces Be Stronger than Dipole-Dipole Forces, Including Hydrogen Bonds?

4. DNA Intercalators in Cancer Therapy: Organic and Inorganic Drugs and Their Spectroscopic Tools of Analysis

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