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Inorganic Chemistry|February 25, 2009
A theoretical study of the magnetic circular dichroism spectrum for sulfite oxidase based on time-dependent density functional theoryElizabeth Hernandez-Marin, Michael Seth, Tom ZieglerInorganic Chemistry|January 23, 2010
Density functional theory study of the electron paramagnetic resonance parameters and the magnetic circular dichroism spectrum for model compounds of dimethyl sulfoxide reductaseElizabeth Hernandez-Marin, Michael Seth, Tom ZieglerInorganic Chemistry|June 4, 2010
Density functional theory study of the magnetic circular dichroism spectra of molybdenyl complexesElizabeth Hernandez-Marin, Michael Seth, Tom ZieglerThe Journal of Physical Chemistry. A|September 8, 2009
Implementation of a hybrid DFT method for calculating NMR shieldings using Slater-type orbitals with spin-orbital coupling included. Applications to 187Os, 195Pt, and 13C in heavy-metal complexesMykhaylo Krykunov, Tom Ziegler, Erik van LentheJournal of the American Chemical Society|January 23, 2003
Theoretical investigation of the apparently irregular behavior of pt-pt nuclear spin-spin coupling constantsJochen Autschbach, Ciprian D Igna, Tom ZieglerThe Journal of Physical Chemistry. A|July 17, 2008
Bond multiplicity in transition-metal complexes: applications of two-electron valence indicesArtur Michalak, Roger L DeKock, Tom ZieglerInorganic Chemistry|October 5, 2007
Magnetic circular dichroism of porphyrins containing M = Ca, Ni, and Zn. A computational study based on time-dependent density functional theoryG A Peralta, Michael Seth, Tom ZieglerThe Journal of Physical Chemistry. A|August 11, 2011
First principle simulation of the temperature dependent magnetic circular dichroism of a trinuclear copper complex in the presence of zero field splittingHristina R Zhekova, Michael Seth, Tom ZieglerInorganic Chemistry|April 29, 2003
Density functional calculations on electronic circular dichroism spectra of chiral transition metal complexesJochen Autschbach, Francisco E Jorge, Tom ZieglerInorganic Chemistry|December 23, 2003
On the origin of the optical activity in the d-d transition region of tris-bidentate Co(III) and Rh(III) complexesFrancisco E Jorge, Jochen Autschbach, Tom ZieglerPageof 17