An ab initio Quantum-Chemical Study of C₆H₅S(O)CH₃ and C₆H₅S(O)CF₃

By Bzhezovskii V.   Il’chenko N.   Chura M.   Gorb L.   Yagupol’skii L.  

Russian Journal of General Chemistry, Vol. 75, Iss. 1, 2005-01 ,pp. : 86-93

MAIK Nauka/Interperiodica

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An ab initio quantum chemical study of reaction mechanisms in the C₂H₂/CH₃OH/KOH/DMSO system

By Larionova E.   Vitkovskaya N.   Kobychev V.   Trofimov B.  

Journal of Structural Chemistry, Vol. 51, Iss. 3, 2010-06 ,pp. : 428-436

Springer Publishing Company

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Hypothesis of Hemoprotein Sensor Confirmed by Ab initio Quantum-Chemical Method

By Romanova T. A.   Kravchenko O. V.   Morgulis I. I.   Kuzubov A. A.   Krasnov P. O.   Avramov P. V.  

Russian Journal of Coordination Chemistry, Vol. 30, Iss. 6, 2004-06 ,pp. : 403-406

MAIK Nauka/Interperiodica

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Analysis of the Tautomeric Properties of 2-Formylcyclopentane-1,3-Dione Using the Data of IR Spectroscopy and Nonempirical (ab initio and DFT) Quantum-Chemical Calculations

By Gromak V.V.   Avakyan V.G.   Pashkovskii F.S.   Lakhvich O.F.   Skorodumov E.V.   Khlebnikova T.S.  

Journal of Applied Spectroscopy, Vol. 70, Iss. 1, 2003-01 ,pp. : 14-26

Springer Publishing Company

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Intramolecular Rearrangements of Metal beta-Diketonates. Ab Initio Study of Sc(MDA)₃ (MDA = C₃H₃O₂)

By Sliznev V. V.   Lapshina S. B.   Girichev G. V.  

Journal of Structural Chemistry, Vol. 45, Iss. 2, 2004-03 ,pp. : 206-211

Springer Publishing Company

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