Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical-Reference-Cited by-同舟云学术

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Ro-vibrational averaging of the isotropic hyperfine coupling constant for the methyl radical

Published:2015-12-28 Issue:24 Volume:143 Page:244306
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Adam Ahmad Y.¹,Yachmenev Andrey²^ORCID,Yurchenko Sergei N.²^ORCID,Jensen Per¹

Affiliation:

1. Fakultät Mathematik und Naturwissenschaften, Physikalische und Theoretische Chemie, Bergische Universität Wuppertal, D-42097 Wuppertal, Germany

2. Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6BT, United Kingdom

Funder

European Research Council (ERC)

Deutsche Forschungsgemeinschaft (DFG)

Ministry of Education and Science of the Russian Federation

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4938253

Reference73 articles.

1. Simple finite field method for calculation of static and dynamic vibrational hyperpolarizabilities: Curvature contributions

2. The electronic, vibrational and rotational contributions to the dipole moment, polarizability, and first and second hyperpolarizabilities of the BH molecule

3. Efficient treatment of the effect of vibrations on electrical, magnetic, and spectroscopic properties

4. Vibrational corrections to properties at arbitrary reference geometry

5. Calculation of the vibrational wave function of polyatomic molecules

Cited by 12 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Direct Probes of π-Delocalization in Prototypical Resonance-Stabilized Radicals: Hyperfine-Resolved Microwave Spectroscopy of Isotopic Propargyl and Cyanomethyl;Journal of the American Chemical Society;2024-01-03

2. New Theoretical Infrared Line List for the Methyl Radical with Accurate Vibrational Band Origins from High-Level Ab Initio Calculations;The Journal of Physical Chemistry A;2022-09-08

3. Artificial Symmetries for Calculating Vibrational Energies of Linear Molecules;Symmetry;2021-03-26

4. A case study of density functional theory and domain-based local pair natural orbital coupled cluster for vibrational effects on EPR hyperfine coupling constants: vibrational perturbation theory versus ab initio molecular dynamics;Molecular Physics;2020-07-31

5. Important components for accurate hyperfine coupling constants: electron correlation, dynamic contributions, and solvation effects;Molecular Physics;2020-06-03

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