Ab initio and dielectric studies of succinic acid and maleic acid in 1,4-dioxane

By Madhurima V.   Sudheendran K.   James Raju K. C.  

Molecular Simulation, Vol. 32, Iss. 5, 2006-04 ,pp. : 331-337

Taylor & Francis Ltd

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Ab initio simulations of Cu binding sites on the N-terminal region of prion protein

By Furlan Sara   Penna Giovanni   Guerrieri Francesco   Morante Silvia   Rossi Gian  

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Springer Publishing Company

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An ab initio study of the reactions of CH2X-X (X=Cl, Br, I) isopolyhalomethanes with nCH3OH

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Molecular Simulation, Vol. 31, Iss. 6-7, 2005-05 ,pp. : 483-488

Taylor & Francis Ltd

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Ab-initio simulations of magnetic iron sulphides

By Wells S.   Alfe D.   Blanchard L.   Brodholt J.   Calleja M.   Catlow R.   Price D.   Tyler R.   Wright K.  

Molecular Simulation, Vol. 31, Iss. 5, 2005-04 ,pp. : 379-384

Taylor & Francis Ltd

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Ab initio simulations of the electrochemical activation of water

By Taylor C. D.   Janik M. J.   Neurock M.   Kelly R. G.  

Molecular Simulation, Vol. 33, Iss. 4-5, 2007-04 ,pp. : 429-436

Taylor & Francis Ltd

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