A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error-Reference-Cited by-同舟云学术

A comparison of the behavior of functional/basis set combinations for hydrogen-bonding in the water dimer with emphasis on basis set superposition error

Published:2011-02-15 Issue:8 Volume:32 Page:1519-1527
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Plumley Joshua A.,Dannenberg J. J.

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/jcc.21729/fullpdf

Reference72 articles.

1. Cooperative 4-Pyridone H-Bonds with Extraordinary Stability. A DFT Molecular Orbital Study

2. A Single Molecule View of Bistilbene Photoisomerization on a Surface Using Scanning Tunneling Microscopy

3. Enthalpies of Hydrogen-Bonds in α-Helical Peptides. An ONIOM DFT/AM1 Study

4. Comparison of Fully Optimized α- and 310-Helices with Extended β-Strands. An ONIOM Density Functional Theory Study

5. Cooperative Hydrogen-Bonding in Models of Antiparallel β-Sheets

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