A Reinvestigation of the Dimer of para-Benzoquinone and Pyrimidine with MP2, CCSD(T), and DFT Using Functionals Including Those Designed to Describe Dispersion-Reference-Cited by-同舟云学术

A Reinvestigation of the Dimer of para-Benzoquinone and Pyrimidine with MP2, CCSD(T), and DFT Using Functionals Including Those Designed to Describe Dispersion

Published:2012-07-19 Issue:30 Volume:116 Page:8100-8105
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Marianski Mateusz¹,Oliva Antoni²,Dannenberg J. J.¹

Affiliation:

1. Department of Chemistry, City University of New York, Hunter College and the Graduate School, 695 Park Avenue, New York, New York 10065, United States

2. Departament de Quimica, Unitat de Quimica Fisica, Universitat Autonoma de Barcelona, 08193 Bellaterra, Barcelona, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp3050274

Reference31 articles.

1. Toward True DNA Base-Stacking Energies: MP2, CCSD(T), and Complete Basis Set Calculations

2. On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit level

3. Mutual Relationship between Stacking and Hydrogen Bonding in DNA. Theoretical Study of Guanine−Cytosine, Guanine−5-methylcytosine, and Their Dimers

4. Thermodynamics of stacking interactions in proteins

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