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Molecules (Basel, Switzerland)|October 30, 2019
Synthesis and Density Functional Theory Studies of Azirinyl and Oxiranyl Functionalized Isoindigo and (3<i>Z</i>,3'<i>Z</i>)-3,3'-(ethane-1,2-diylidene)bis(indolin-2-one) DerivativesGholamhossein Khalili, Patrick M McCosker, Timothy Clark, et al.Journal of Chemical Theory and Computation|December 14, 2016
Accurate Intermolecular Potential for the C<sub>60</sub> Dimer: The Performance of Different Levels of Quantum TheoryDmitry I Sharapa, Johannes T Margraf, Andreas Hesselmann, et al.Journal of Chemical Information and Modeling|March 31, 2012
Predicting the sites and energies of noncovalent intermolecular interactions using local propertiesAhmed El Kerdawy, Christian R Wick, Matthias Hennemann, et al.Inorganic Chemistry|September 12, 2006
Nitrite impurities are responsible for the reaction observed between vitamin B12 and nitric oxide in acidic aqueous solutionFederico Roncaroli, Tatyana E Shubina, Timothy Clark, et al.Journal of Chemical Information and Computer Sciences|March 23, 2004
New molecular descriptors based on local properties at the molecular surface and a boiling-point model derived from themBernd Ehresmann, Marcel J de Groot, Alexander Alex, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 2, 2011
Influence of electron doping on the hydrogenation of fullerene C60 : a theoretical investigationPavlo O Dral, Tatyana E Shubina, Andreas Hirsch, et al.The Journal of Physical Chemistry. B|December 1, 2006
SCRF-DFT and NMR comparison of tetracycline and 5a,6-anhydrotetracycline in solutionOlaf G Othersen, Reiner Waibel, Harald Lanig, et al.Journal of Chemical Information and Modeling|August 17, 2011
Conformation-dependent QSPR models: logPOWMarkus Muehlbacher, Ahmed El Kerdawy, Christian Kramer, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 18, 2009
Counterions control the self-assembly of structurally persistent micelles: theoretical prediction and experimental observation of stabilization by sodium ionsChristof M Jäger, Andreas Hirsch, Boris Schade, et al.Journal of Chemical Information and Modeling|May 23, 2013
Quantum mechanics-based properties for 3D-QSARAhmed El Kerdawy, Stefan Güssregen, Hans Matter, et al.Pageof 28