Charge-Transfer Complexes: Stringent Tests for Widely Used Density Functionals
Author:
Affiliation:
1. Département de Chimie, Université de Montréal, C.P. 6128 Succursale centre ville, Montréal, Québec, H3C 3J7 Canada
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/jp9533077
Reference102 articles.
1. Density Functional Theory, Its Gaussian Implementation and Applications to Complex Systems
2. Approximate density functional theory as a practical tool in molecular energetics and dynamics
3. Gaussian density functional calculations on hydrogen-bonded systems
4. Density functional studies on hydrogen-bonded complexes
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