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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.
J Chem Theory Comput. 2013 Jan 8;9(1):247-62. doi: 10.1021/ct3006584. Epub 2012 Nov 27.
J Chem Theory Comput. 2013.
PMID: 26589027
Mechanism of Nitric Oxide Oxidation Reaction (2NO + O2 → 2NO2) Revisited.
Gadzhiev OB, Ignatov SK, Gangopadhyay S, Masunov AE, Petrov AI.
Gadzhiev OB, et al.
J Chem Theory Comput. 2011 Jul 12;7(7):2021-4. doi: 10.1021/ct100754m. Epub 2011 Jun 9.
J Chem Theory Comput. 2011.
PMID: 26606472
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Quantum chemical study of trimolecular reaction mechanism between nitric oxide and oxygen in the gas phase.
Gadzhiev OB, Ignatov SK, Razuvaev AG, Masunov AE.
Gadzhiev OB, et al.
J Phys Chem A. 2009 Aug 13;113(32):9092-101. doi: 10.1021/jp900484s.
J Phys Chem A. 2009.
PMID: 19610649
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Quantum chemical study of the initial step of ozone addition to the double bond of ethylene.
Gadzhiev OB, Ignatov SK, Krisyuk BE, Maiorov AV, Gangopadhyay S, Masunov AE.
Gadzhiev OB, et al.
J Phys Chem A. 2012 Oct 25;116(42):10420-34. doi: 10.1021/jp307738p. Epub 2012 Oct 10.
J Phys Chem A. 2012.
PMID: 22992182
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The role of NH3 and hydrocarbon mixtures in GaN pseudo-halide CVD: a quantum chemical study.
Gadzhiev OB, Sennikov PG, Petrov AI, Kachel K, Golka S, Gogova D, Siche D.
Gadzhiev OB, et al.
J Mol Model. 2014 Nov;20(11):2473. doi: 10.1007/s00894-014-2473-4. Epub 2014 Oct 15.
J Mol Model. 2014.
PMID: 25316343
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