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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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Ab-initio study on indium diffusion in silicon substrate under hydrostatic stress

By Yoon K. -S.   Kim Y. -K.   Won T.  

Molecular Simulation, Vol. 34, Iss. 1, 2008-01 ,pp. : 47-50

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The effect of cooperativity on hydrogen bonding interactions in native cellulose Iβ from ab initio molecular dynamics simulations

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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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Biomimetic trinuclear copper mixed-valence systems: electronic and magnetic parameters from ab initio calculations

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