Chemical Physics Letters
Journal Abbreviation: CHEM PHYS LETT
ISSN: 0009-2614
Publisher: Elsevier
Publications (60)
Exploring host-guest complexation mechanisms by a molecular dynamics/quantum mechanics/continuum solvent model approach (2016)
Ye R, Nie X, Zhou Y, Wong CF, Gong X, Jiang W, Tang W, et al.
Journal article
Evidence for a precursor adcomplex during the metalation of 2HTPP with iron on Ag(100) (2015)
Röckert M, Franke M, Tariq Q, Steinrück HP, Lytken O
Journal article
Opening of an icosahedral boron framework: A combined infrared spectroscopic and computational study (2015)
Fagiani MR, Zeonjuk LL, Esser TK, Gabel D, Heine T, Asmis KR, Warneke J
Journal article
Umbrella sampling of proton transfer in a creatine-water system (2014)
Ivchenko O, Bachert P, Imhof P
Journal article
Geometry and electronic structure of neutral and charged B21 clusters (2013)
Casillas R, Baruah T, Zope RR
Journal article
Nucleation mechanism and kinetics of the perovskite to post-perovskite transition of MgSiO3 under extreme conditions (2013)
Zahn D
Journal article
Accelerated cluster structure search using electron diffraction data in a genetic algorithm (2012)
Neiß C, Schooss D
Journal article, Original article
SO2 adsorption and thermal evolution on clean and oxygen precovered Pt(111) (2010)
Streber R, Papp C, Lorenz MPA, Höfert O, Darlatt E, Bayer A, Denecke R, Steinrück HP
Journal article, Original article
Polarizabilities as a test of localized approximations to the self-interaction correction (2009)
Messud J, Wang Z, Dinh PM, Reinhard PG, Suraud E
Journal article
Comparison between optimized effective potential and Kohn-Sham methods (2008)
Heßelmann A, Görling A
Journal article, Original article