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Inorganic Chemistry|June 21, 2005
Model for acetylene reduction by nitrogenase derived from density functional theoryJohannes Kästner, Peter E BlöchlThe Journal of Chemical Physics|February 6, 2008
Dynamical dimer method for the determination of transition states with ab initio molecular dynamicsAlexander Poddey, Peter E BlöchlJournal of Physics. Condensed Matter : an Institute of Physics Journal|June 14, 2018
Density functional study of half-metallicity and spin polarization in Fe1-x T x S2 with T = Mn,NiAbdesalem Houari, Peter E BlöchlJournal of the American Chemical Society|February 21, 2007
Ammonia production at the FeMo cofactor of nitrogenase: results from density functional theoryJohannes Kästner, Peter E BlöchlThe Journal of Chemical Physics|October 19, 2005
Activation and protonation of dinitrogen at the FeMo cofactor of nitrogenaseJohannes Kästner, Sascha Hemmen, Peter E BlöchlJournal of the American Chemical Society|December 18, 2003
Nitrogen binding to the FeMo-cofactor of nitrogenaseJohannes Schimpl, Helena M Petrilli, Peter E BlöchlPhysical Review Letters|October 4, 2005
Structural and electronic properties of the interface between the high-k Oxide LaAlO3 and Si(001)Clemens J Först, Karlheinz Schwarz, Peter E BlöchlThe Journal of Chemical Physics|November 3, 2020
Predicting oxidation and spin states by high-dimensional neural networks: Applications to lithium manganese oxide spinelsMarco Eckhoff, Knut Nikolas Lausch, Peter E Blöchl, et al.Nature|January 1, 2004
The interface between silicon and a high-k oxideClemens J Först, Christopher R Ashman, Karlheinz Schwarz, et al.The Journal of Physical Chemistry. A|June 15, 2026
The CP-PAW Code Package for First-Principles Calculations from a User's PerspectivePeter E Blöchl, Robert Schade, Lukas Allen-Rump, et al.Pageof 1