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Protonation-Dependent Binding of Ruthenium Bipyridyl Complexes to the Anatase(101) Surface
Download from www.zora.uzh.chAn atomistic picture of the regeneration process in dye sensitized solar cells
Download from www.pnas.orgHydrogen forms in water by proton transfer to a distorted electron
Download from dx.doi.orgAccurate Hartree-Fock energy of extended systems using large Gaussian basis sets
Download from dx.doi.orgRobust Periodic Hartree−Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets
Download from dx.doi.orgEffect of counter ions on the silica oligomerization reaction
Download from library.tue.nlDirect energy functional minimization under orthogonality constraints
Download from www.zora.uzh.chElectronic structure of the water dimer cation
Download from citeseerx.ist.psu.eduAb initio molecular dynamics using hybrid density functionals
Download from www.zora.uzh.chAb initiomolecular dynamics study of ascorbic acid in aqueous solution
Download from www.researchgate.netGaussian basis sets for accurate calculations on molecular systems in gas and condensed phases
Download from www.zora.uzh.chSolvation of p-coumaric acid in water
Download from dx.doi.orgElectron transfer properties from atomistic simulations and density functional theory
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