Structure, Energy, and Vibrational Frequencies of Oxygen Allotropes On (n ≤ 6) in the Covalently Bound and van der Waals Forms: Ab Initio Study at the CCSD(T) Level-Reference-Cited by-同舟云学术

Structure, Energy, and Vibrational Frequencies of Oxygen Allotropes On (n ≤ 6) in the Covalently Bound and van der Waals Forms: Ab Initio Study at the CCSD(T) Level

Published:2012-11-27 Issue:1 Volume:9 Page:247-262
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gadzhiev Oleg B.¹²,Ignatov Stanislav K.³⁴,Kulikov Mikhail Yu.¹⁴,Feigin Alexander M.¹,Razuvaev Alexey G.³,Sennikov Peter G.²,Schrems Otto⁴

Affiliation:

1. Institute of Applied Physics, Russian Academy of Sciences, Nizhny Novgorod, 46 Ul’yanov Street, Nizhny Novgorod, 603950, Russia

2. G.G. Devyatykh Institute of Chemistry of High Purity Substances, Russian Academy of Sciences, 49 Troponina St., Nizhny Novgorod, 603950, Russia

3. N.I. Lobachevsky State University of Nizhny Novgorod, National Research University, 23 Gagarin Avenue, Nizhny Novgorod, 603950, Russia

4. Alfred Wegener Institute for Polar and Marine Research, Am Handelshafen 12, 27570 Bremerhaven, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct3006584

Reference136 articles.

1. Zur Theorie der binären Gemische und konzentrierten Lösungen. H.

2. THE MAGNETISM OF OXYGEN AND THE MOLECULE O4

3. Equilibrium structure and vibrational frequencies of the O4 molecule

4. Ab initio study of the O4 molecule

5. Prediction of a metastable D3h form of tetra oxygen

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