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Photoluminescence of oxygen-deficient defects in germanium oxides: a quantum chemical study.
J Chem Phys. 2006 Aug 14;125(6):64701. doi: 10.1063/1.2238866.
J Chem Phys. 2006.
PMID: 16942299
Photoluminescence of oxygen-containing surface defects in germanium oxides: a theoretical study.
Zyubin AS, Mebel AM, Lin SH.
Zyubin AS, et al.
J Chem Phys. 2005 Jul 22;123(4):044701. doi: 10.1063/1.1940027.
J Chem Phys. 2005.
PMID: 16095378
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Optical properties of oxygen vacancies in germanium oxides: quantum chemical modeling of photoexcitation and photoluminescence.
Zyubin AS, Mebel AM, Lin SH.
Zyubin AS, et al.
J Phys Chem A. 2007 Sep 27;111(38):9479-85. doi: 10.1021/jp072314f. Epub 2007 Jul 13.
J Phys Chem A. 2007.
PMID: 17629254
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Matrix reorganization with intramolecular tunneling of H atom: formic acid in Ar matrix.
Trakhtenberg LI, Fokeyev AA, Zyubin AS, Mebel AM, Lin SH.
Trakhtenberg LI, et al. Among authors: zyubin as.
J Chem Phys. 2009 Apr 14;130(14):144502. doi: 10.1063/1.3111263.
J Chem Phys. 2009.
PMID: 19368456
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Performance of time-dependent density functional and Green functions methods for calculations of excitation energies in radicals and for Rydberg electronic states.
Zyubin AS, Mebel AM.
Zyubin AS, et al.
J Comput Chem. 2003 Apr 30;24(6):692-700. doi: 10.1002/jcc.10220.
J Comput Chem. 2003.
PMID: 12666160
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Infrared vibrational spectroscopy of cis-dichloroethene in Rydberg states.
Wang P, Woo HK, Lau KC, Xing X, Ng CY, Zyubin AS, Mebel AM.
Wang P, et al. Among authors: zyubin as.
J Chem Phys. 2006 Feb 14;124(6):64310. doi: 10.1063/1.2166851.
J Chem Phys. 2006.
PMID: 16483210
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Quantum chemical modeling of photoadsorption properties of the nitrogen-vacancy point defect in diamond.
Zyubin AS, Mebel AM, Hayashi M, Chang HC, Lin SH.
Zyubin AS, et al.
J Comput Chem. 2009 Jan 15;30(1):119-31. doi: 10.1002/jcc.21042.
J Comput Chem. 2009.
PMID: 18548526
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Effect of the medium on intramolecular H-atom tunneling: cis-trans conversion of formic acid in solid matrixes of noble gases.
Trakhtenberg LI, Fokeyev AA, Zyubin AS, Mebel AM, Lin SH.
Trakhtenberg LI, et al. Among authors: zyubin as.
J Phys Chem B. 2010 Dec 30;114(51):17102-12. doi: 10.1021/jp1073472. Epub 2010 Dec 8.
J Phys Chem B. 2010.
PMID: 21141902
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