Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in Solution-Reference-Cited by-同舟云学术

Implementation and Optimization of DFT-D/COSab with Respect to Basis Set and Functional: Application to Polar Processes of Furfural Derivatives in Solution

Published:2009-09-21 Issue:10 Volume:5 Page:2772-2786
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Peverati Roberto¹,Baldridge Kim K.¹

Affiliation:

1. University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900363n

Reference95 articles.

1. Density Functionals with Broad Applicability in Chemistry

2. Semiempirical Double-Hybrid Density Functional with Improved Description of Long-Range Correlation

3. Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods

4. Van der Waals Interactions in DFT Made Easy by Wannier Functions

5. Double-Hybrid Functionals for Thermochemical Kinetics

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