Journal of Molecular Modeling
Journal Abbreviation: J MOL MODEL
ISSN: 0948-5023
Publisher: Springer Verlag (Germany)
Publications (33)
Switching the conductance of a molecular junction using a proton transfer reaction (2014)
Hofmeister C, Härtle R, Rubio-Pons O, Brana Coto P, Sobolewski AL, Thoss M
Journal article
Stability and electronic properties of 3D covalent organic frameworks (2013)
Lukose B, Kuc A, Heine T
Journal article
A test of improved force field parameters for urea: molecular-dynamics simulations of urea crystals (2012)
Ozpinar GA, Beierlein F, Peukert W, Zahn D, Clark T
Journal article
AM1* parameters for palladium and silver (2011)
Kayi H, Clark T
Journal article
Formation of the Vilsmeier-Haack complex: the performance of different levels of theory (2011)
Ozpinar GA, Kaufmann DE, Clark T
Journal article
Contribution of charged and polar residues for the formation of the E1-E2 heterodimer from Hepatitis C Virus. (2010)
Jusoh SA, Welsch C, Siu SWI, Böckmann R, Helms V
Journal article, Original article
The local electron affinity for non-minimal basis sets (2010)
Clark T
Journal article
AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine. (2006)
Homeyer N, Horn A, Lanig H, Sticht H
Journal article, Original article
AM1*parameters for phosphorus, sulfur and chlorine (2003)
Winget P, Horn A, Martin B, Clark T
Journal article
Local molecular properties and their use in predicting reactivity (2003)
Ehresmann B, Martin B, Horn A, Clark T
Journal article