An ab initio quantum-chemical study of the compounds HC≡CXCH₃ (X = O, S, Se)

By Bzhezovskii V.   Kapustin E.   Chura M.   Shermolovich Yu.  

Russian Journal of General Chemistry, Vol. 74, Iss. 11, 2004-11 ,pp. : 1697-1701

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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Molecular Conformation of 2,2'-Dinitrodiphenylamine According to Dielectric Studies and Ab Initio Quantum Chemical Calculations

By Krivoruchka I. G.   Vokin A. I.   Turchaninov V. K.  

Journal of Structural Chemistry, Vol. 44, Iss. 3, 2003-05 ,pp. : 502-505

Springer Publishing Company

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IR Spectra of Ethane Adsorbed on the Hydrogen, Sodium, and Zinc Forms of a Y-Type Zeolite: Interpretation Using ab initio Quantum Chemical Calculations

By Pidko E.   Kazanskii V.  

Kinetics and Catalysis, Vol. 46, Iss. 3, 2005-05 ,pp. : 407-413

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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