Journal of Chemical Physics
Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing
Publications (243)
Controlling the conductance of molecular junctions using proton transfer reactions: A theoretical model study (2017)
Hofmeister C, Coto PB, Thoss M
Journal article
Solvation structure and dynamics of Ag+ in aqueous ammonia solutions: A molecular simulation study (2017)
Sansotta S, Zahn D
Journal article
Interaction of free-base tetraphenylporphyrin with magnesium oxide: Influence of MgO morphology on metalation (2017)
di Filippo G, Classen A, Pöschel R, Fauster T
Journal article, Original article
Anchoring of a Carboxyl-Functionlized Norbornadiene Derivative to an Atomically-Defined Cobalt Oxide Surface (2017)
Schwarz M, Mohr S, Xu T, Döpper T, Weiß C, Civale K, Hirsch A, et al.
Journal article
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