Journal of Chemical Physics

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

Publications (243)

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Abstract

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