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Journal of Computational Chemistry|January 22, 2004
Vibrational center-ligand couplings in transition metal complexesJohannes Neugebauer, Markus ReiherJournal of Computational Chemistry|May 13, 2008
QM/MM vibrational mode trackingCarmen Herrmann, Johannes Neugebauer, Markus ReiherThe Journal of Chemical Physics|February 19, 2009
Intensity tracking for theoretical infrared spectroscopy of large moleculesSandra Luber, Johannes Neugebauer, Markus ReiherThe Journal of Chemical Physics|December 3, 2008
Selective calculation of high-intensity vibrations in molecular resonance Raman spectraKarin Kiewisch, Johannes Neugebauer, Markus ReiherThe Journal of Chemical Physics|February 2, 2010
Enhancement and de-enhancement effects in vibrational resonance Raman optical activitySandra Luber, Johannes Neugebauer, Markus ReiherThe Journal of Chemical Physics|February 6, 2008
Topological analysis of electron densities from Kohn-Sham and subsystem density functional theoryKarin Kiewisch, Georg Eickerling, Markus Reiher, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 26, 2005
The "invisible" 13C NMR chemical shift of the central carbon atom in [(Ph3PAu)6C]2+: a theoretical investigationBoris Le Guennic, Johannes Neugebauer, Markus Reiher, et al.Journal of Computational Chemistry|May 2, 2002
Quantum chemical calculation of vibrational spectra of large molecules--Raman and IR spectra for BuckminsterfullereneJohannes Neugebauer, Markus Reiher, Carsten Kind, et al.Inorganic Chemistry|August 30, 2005
Theoretical study on the spin-state energy splittings and local spin in cationic [Re]-Cn-[Re] complexesCarmen Herrmann, Johannes Neugebauer, John A Gladysz, et al.Photochemistry and Photobiology|May 14, 2017
Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment ModelsDenis G Artiukhin, Christopher J Stein, Markus Reiher, et al.Pageof 39