Performance of Several Density Functional Theory Methods on Describing Hydrogen-Bond Interactions-Reference-Cited by-同舟云学术

Performance of Several Density Functional Theory Methods on Describing Hydrogen-Bond Interactions

Published:2008-12-04 Issue:1 Volume:5 Page:86-96
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Rao Li¹,Ke Hongwei¹,Fu Gang¹,Xu Xin¹,Yan Yijing¹

Affiliation:

1. State Key Laboratory for Physical Chemistry of Solid Surfaces, Center for Theoretical Chemistry, Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China, and Department of Chemistry, Hong Kong University of Science and Technology, Kowloon, Hong Kong

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800237n

Reference50 articles.

1. MP2 energy evaluation by direct methods

2. Approximate fourth-order perturbation theory of the electron correlation energy

3. Quadratic configuration interaction. A general technique for determining electron correlation energies

4. General Performance of Density Functionals

5. Density‐functional thermochemistry. III. The role of exact exchange

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