Dynamical Nonplanarity of Benzene. Evidences from the Car–Parrinello Molecular Dynamics Study-Reference-Cited by-同舟云学术

Dynamical Nonplanarity of Benzene. Evidences from the Car–Parrinello Molecular Dynamics Study

Published:2011-10-31 Issue:22 Volume:2 Page:2881-2884
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Shishkin Oleg V.¹²,Dopieralski Przemyslaw³,Omelchenko Irina V.¹,Gorb Leonid⁴⁵,Latajka Zdzislaw³,Leszczynski Jerzy⁴

Affiliation:

1. Division of Functional Materials Chemistry, SSI “Institute for Single Crystals”, National Academy of Science of Ukraine, 60 Lenina Avenue, Kharkiv 61001, Ukraine

2. Department of Inorganic Chemistry, V. N. Karazin Kharkiv National University, 4 Svobody Square, Kharkiv 61077, Ukraine

3. Faculty of Chemistry, University of Wroclaw, F. Joliot-Curie 14/3A, 50-383 Wroclaw, Poland

4. Interdisciplinary Center for Nanotoxicity, Department of Chemistry, Jackson State University, P.O. Box 17910, 1325 Lynch Street, Jackson, Mississippi 39217, United States

5. Department of Molecular Biophysics, Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine, 150 Vul. Zabolotnogo, Kyiv 03143, Ukraine

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jz201327t

Reference32 articles.

1. Recent advances in phosphazene (phosphonitrilic) chemistry

2. Molecular electric moments from x-ray diffraction data

3. Structural Aspects of Aromaticity

4. Internal motion of benzene. A molecular dynamics simulation study

5. Calculation of the Vibronic Fine Structure in Electronic Spectra at Higher Temperatures. 1. Benzene and Pyrazine

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