Quantum Chemical Characterization of the Structural and Energetic Properties of HCN−BF3-Reference-Cited by-同舟云学术

Quantum Chemical Characterization of the Structural and Energetic Properties of HCN−BF3

Published:2005-06-30 Issue:5 Volume:1 Page:827-833
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Phillips James A.¹,Cramer Christopher J.¹

Affiliation:

1. Department of Chemistry, University of WisconsinEau Claire, 105 Garfield Avenue, Eau Claire, Wisconsin 54701, and Department of Chemistry and Supercomputer Institute, University of Minnesota, 207 Pleasant Street SE, Minneapolis, Minnesota 55455

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct0501248

Reference38 articles.

1. Density functional theory and molecular clusters

2. Properties of some weakly bound complexes obtained with various density functionals

3. An ab initio and DFT study of (N2)2 dimers

4. Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory: Assessing the PW91 model

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