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Journal of the American Chemical Society|June 20, 2002
Stochastic simulations of polymer growth and isomerization in the polymerization of propylene catalyzed by Pd-based diimine catalystsArtur Michalak, Tom ZieglerThe Journal of Chemical Physics|October 29, 2005
A simplified relativistic time-dependent density-functional theory formalism for the calculations of excitation energies including spin-orbit coupling effectFan Wang, Tom ZieglerJournal of the American Chemical Society|April 25, 2002
[Ni(0)L]-catalyzed cyclodimerization of 1,3-butadiene: a comprehensive density functional investigation based on the generic [(C(4)H(6))(2)Ni(0)PH(3)] catalystSven Tobisch, Tom ZieglerInorganic Chemistry|March 14, 2013
A theoretical analysis of supported quintuple and quadruple chromium-chromium bondsSylvester Ndambuki, Tom ZieglerChemistry (Weinheim an Der Bergstrasse, Germany)|October 20, 2021
Coordinatively Unsaturated Amidotitanocene Cations with Inverted σ and π Bond Strengths: Controlled Release of Aminyl Radicals and Hydrogenation/Dehydrogenation CatalysisQuentin Bonnin, Tereza Edlová, E Daiann Sosa Carrizo, et al.The Journal of Chemical Physics|August 24, 2010
On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theoryTom Ziegler, Mykhaylo KrykunovThe Journal of Chemical Physics|March 4, 2005
The performance of time-dependent density functional theory based on a noncollinear exchange-correlation potential in the calculations of excitation energiesFan Wang, Tom ZieglerJournal of the American Chemical Society|July 22, 2004
Catalytic oligomerization of ethylene to higher linear alpha-olefins promoted by the cationic group 4 [(eta 5-Cp-(CMe2-bridge)-Ph)MII(ethylene)2]+ (M = Ti, Zr, Hf) active catalysts: a density functional investigation of the influence of the metal on the catalytic activity and selectivitySven Tobisch, Tom ZieglerJournal of Chemical Theory and Computation|November 20, 2015
Self-consistent Formulation of Constricted Variational Density Functional Theory with Orbital Relaxation. Implementation and ApplicationsMykhaylo Krykunov, Tom ZieglerInorganic Chemistry|February 25, 2009
Magnetic circular dichroism spectrum of plastocyanin by calculationMichael Seth, Tom ZieglerPageof 17