Ab initio Quantum-Mechanical Calculations of Molecular Structure and Conformations of 2,2-Dichloroethanal in the Ground and Excited Lowest Triplet States

By Bataev V.A.   Kudich A.V.   Abramenkov A.V.   Godunov I.A.  

Journal of Structural Chemistry, Vol. 42, Iss. 1, 2001-01 ,pp. : 66-75

Springer Publishing Company

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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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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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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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Magnetization of zircon induced by 3 d impurities: Ab initio calculations

By Shein I.   Bamburov V.   Ivanovskii A.  

Doklady Physical Chemistry, Vol. 438, Iss. 1, 2011-05 ,pp. : 90-93

MAIK Nauka/Interperiodica

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