An ab initio study of the electronic and steric structure of Cl₂ZX molecules (Z = P and As)

By Feshin V.   Feshina E.   Zhizhina L.  

Russian Journal of General Chemistry, Vol. 77, Iss. 4, 2007-04 ,pp. : 570-574

MAIK Nauka/Interperiodica

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Structure, Energetics, and Electronic Properties of the Surface of a Promoted MoS₂ Catalyst: An ab Initio Local Density Functional Study

By Raybaud P.   Hafner J.   Kresse G.   Kasztelan S.   Toulhoat H.  

Journal of Catalysis, Vol. 190, Iss. 1, 2000-02 ,pp. : 128-143

Academic Press

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Onset of Amorphous Structure in CaCO₃: Geometric and Electronic Structures of (CaCO₃) _n (n = 2–7) Clusters by Ab Initio Calculations

By Rosas-García Víctor   Carmen Sáenz-Tavera Isabel   Cantú-Morales David  

Journal of Cluster Science, Vol. 23, Iss. 2, 2012-06 ,pp. : 203-219

Springer Publishing Company

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Sulfur Versus Oxygen in Interaction with the Double Bond: AB Initio Study of Electronic Structure and Prototropic Rearrangement of 1-Methoxy-2-propene and 1-Methylthio-2-propene

By Kobychev Vladimir B.   Vitkovskaya Nadezhda M.   Larionova Elena Y u.   Trofimov Boris A.  

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Taylor & Francis Ltd

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Electronic and Spatial Structure of Piperidine and Its Substituted Derivatives from the Results of ab initio Calculations

By Feshina E.   Zhizhina L.   Feshin V.  

Chemistry of Heterocyclic Compounds, Vol. 41, Iss. 7, 2005-07 ,pp. : 883-889

Springer Publishing Company

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