Journal of Chemical Physics

Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing

Publications (239)

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Abstract

Vibrationally resolved UV/Vis spectroscopy with time-dependent density functional based tight binding (2016) Ruger R, Niehaus T, Van Lenthe E, Heine T, Visscher L Journal article Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds (2016) Gabardi S, Caravati S, Los JH, Kühne TD, Bernasconi M Journal article Surface tension of ab initio liquid water at the water-air interface (2016) Nagata Y, Ohto T, Bonn M, Kühne TD Journal article Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states (2016) Ruger R, Van Lenthe E, Heine T, Visscher L Journal article Pyridine on flat Pt(111) and stepped Pt(355) - An in situ HRXPS investigation of adsorption and thermal evolution (2016) Steinrück HP, Welke M, Eilert A, Denecke R, Schoeppke M, Wöckel C Journal article Matrix effects in the C 1s photoabsorption spectra of condensed naphthalene (2016) Schmidt NA, Wenzel J, Dreuw A, Fink R, Hieringer W Journal article Moving charged particles in lattice Boltzmann-based electrokinetics (2016) Kuron M, Rempfer G, Schornbaum F, Bauer M, Godenschwager C, Holm C, de Graaf J Journal article, Original article CO oxidation on Pt(111) at near ambient pressures (2016) Krick Calderon S, Grabau M, Ovari L, Kress B, Steinrück HP, Papp C Journal article, Original article A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors (2015) Bauer T, Jäger C, Jordan MJT, Clark T Journal article Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernel (2015) Görling A, Bleiziffer P, Krug M Journal article