Hydrogen Bonding and Density Functional Calculations: The B3LYP Approach as the Shortest Way to MP2 Results-Reference-Cited by-同舟云学术

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Hydrogen Bonding and Density Functional Calculations: The B3LYP Approach as the Shortest Way to MP2 Results

Published:1998-04-01 Issue:17 Volume:102 Page:2899-2903
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Lozynski Marek¹,Rusinska-Roszak Danuta¹,Mack Hans-Georg²

Affiliation:

1. Poznan Technical University, Institute of Chemical Technology and Engineering, Pl. M. Sklodowskiej-Curie 2, 60965 Poznan, Poland

2. Institut für Physikalische und Theoretische Chemie der Universität Tübingen, Auf der Morgenstelle 8, D-72076 Tübingen, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp973142x

Reference38 articles.

1. Density Functional Methods in Chemistry

2. Density-Functional Theory of the Electronic Structure of Molecules

3. Density Functional Theory of Electronic Structure

4. Density functionals: Where do they come from, why do they work?

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