Showing results (11-20 of 22) with videos related to
Sort By:
Pageof 3
The Journal of Chemical Physics|April 29, 2010
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-PuStefan Grimme, Jens Antony, Stephan Ehrlich, et al.The Journal of Physical Chemistry. A|August 17, 2011
Protein-ligand interaction energies with dispersion corrected density functional theory and high-level wave function based methodsJens Antony, Stefan Grimme, Dimitrios G Liakos, et al.Organic & Biomolecular Chemistry|February 23, 2007
Density functional theory with dispersion corrections for supramolecular structures, aggregates, and complexes of (bio)organic moleculesStefan Grimme, Jens Antony, Tobias Schwabe, et al.The Journal of Physical Chemistry. A|December 28, 2012
Theoretical study of the stacking behavior of selected polycondensed aromatic hydrocarbons with various symmetriesJens Antony, Bassam Alameddine, Titus A Jenny, et al.The Journal of Chemical Physics|July 23, 2005
Anharmonic midinfrared vibrational spectra of benzoic acid monomer and dimerJens Antony, Gert von Helden, Gerard Meijer, et al.Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|June 29, 2004
First principle calculations of (113)Cd chemical shifts for proteins and model systemsLars Hemmingsen, Lars Olsen, Jens Antony, et al.Journal of Computational Chemistry|September 5, 2002
Binding of D- and L-captopril inhibitors to metallo-beta-lactamase studied by polarizable molecular mechanics and quantum mechanicsJens Antony, Nohad Gresh, Lars Olsen, et al.Physical Chemistry Chemical Physics : PCCP|November 1, 2018
Far-IR and UV spectral signatures of controlled complexation and microhydration of the polycyclic aromatic hydrocarbon acenaphtheneAlexander K Lemmens, Sébastien Gruet, Amanda L Steber, et al.The Journal of Physical Chemistry. B|November 16, 2017
HYDROPHOBE Challenge: A Joint Experimental and Computational Study on the Host-Guest Binding of Hydrocarbons to Cucurbiturils, Allowing Explicit Evaluation of Guest Hydration Free-Energy ContributionsKhaleel I Assaf, Mara Florea, Jens Antony, et al.Journal of the American Chemical Society|October 18, 2017
Intramolecular London Dispersion Interaction Effects on Gas-Phase and Solid-State Structures of Diamondoid DimersAndrey A Fokin, Tatyana S Zhuk, Sebastian Blomeyer, et al.Pageof 3