Ab initio RHF and density functional B3LYP and B3PW91 study of (NPF 2 ) n ; n=2,3,4 and (NPX 2 ) 3 ; X=H, Cl, Br cyclic phosphazenes

By Sabzyan H.   Kalantar Z.  

Journal of Molecular Structure: THEOCHEM, Vol. 663, Iss. 1, 2003-11 ,pp. : 149-157

Elsevier

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A B3LYP and QTAIM study of a new proton donor for dihydrogen bonds: the case of the C₂H₅⁺···nBeH₂ complexes (n = 1 or 2)

By Oliveira B.   Vasconcellos M.  

Structural Chemistry, Vol. 20, Iss. 5, 2009-10 ,pp. : 897-902

Springer Publishing Company

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Simulation of proton migration pathways in phenolsulfonic acid-based membranes by B3LYP/6-31G** DFT calculations

By Zyubina T.  

Russian Chemical Bulletin, Vol. 58, Iss. 8, 2009-08 ,pp. : 1581-1588

Springer Publishing Company

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Equilibrium structures and hyperfine parameters of some fluorinated hydrocarbon radical cations: a DFT B3LYP and MP2 study

By Li W.-Z.   Huang M.-B.  

Journal of Molecular Structure: THEOCHEM, Vol. 636, Iss. 1, 2003-09 ,pp. : 71-79

Elsevier

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On a new family of simultaneous methods with corrections for the inclusion of polynomial zeros

By Petković M.   Milošević D.  

International Journal of Computer Mathematics, Vol. 83, Iss. 3, 2006-03 ,pp. : 299-317

Taylor & Francis Ltd

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