Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (239)
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