Intramolecular Basis Set Superposition Error Effects on the Planarity of DNA and RNA Nucleobases-Reference-Cited by-同舟云学术

Intramolecular Basis Set Superposition Error Effects on the Planarity of DNA and RNA Nucleobases

Published:2009-07-31 Issue:9 Volume:5 Page:2574-2581
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Asturiol David¹,Duran Miquel¹,Salvador Pedro¹

Affiliation:

1. Institut de Química Computacional, Parc Científic i Tecnològic de la Universitat de Girona, Edifici Jaume Casademont, Pic de Peguera 15 (la Creueta), 17003 Girona, Spain, and Institut de Química Computacional and Departament de Química, Universitat de Girona, Campus de Montilivi, 17071 Girona, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct900056u

Reference39 articles.

1. Density Functional Theory Study of the Hydrogen-Bonded Pyridine−H2O Complex: A Comparison with RHF and MP2 Methods and with Experimental Data

2. A benchmark vibrational potential surface: ground-state benzene

3. Molecular Geometries and Vibrational Spectra of Phenol, Benzaldehyde, and Salicylaldehyde: Experimental versus Quantum Chemical Data

4. The harmonic frequencies of benzene. A case for atomic natural orbital basis sets

5. “Troublesome” Vibrations of Aromatic Molecules in Second-Order Möller−Plesset and Density Functional Theory Calculations: Infrared Spectra of Phenol and Phenol-OD Revisited

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