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cp2k:atomistic simulations of condensed matter systems: cp2kSimulation Software
Download from www.zora.uzh.chEfficient Linear-Scaling Density Functional Theory for Molecular Systems
Download from www.zora.uzh.chBulk Liquid Water at Ambient Temperature and Pressure from MP2 Theory
Download from www.zora.uzh.chAqueous Redox Chemistry and the Electronic Band Structure of Liquid Water
UploadSpeed Limits for Acid–Base Chemistry in Aqueous Solutions
UploadLinear Scaling Self-Consistent Field Calculations with Millions of Atoms in the Condensed Phase
Download from www.zora.uzh.chHole Localization and Thermochemistry of Oxidative Dehydrogenation of Aqueous Rutile TiO2(110)
Download from dx.doi.orgChasing charge localization and chemical reactivity following photoionization in liquid water
Download from kuscholarworks.ku.eduStructure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics
Download from dx.doi.orgLarge variation of vacancy formation energies in the surface of crystalline ice
Download from www.zora.uzh.chA comparison of accelerators for direct energy minimization in electronic structure calculations
Download from www.zora.uzh.chAuxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations
Download from www.zora.uzh.chPoint defects at the ice (0001) surface
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