Publications by authors named "Michael Seth"

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Benefits of Beta-Blockade in Sepsis and Septic Shock: A Systematic Review.
Young R Lee, Michael Sadanand Seth, Dylan Soney, Hanyu Dai

Clin Drug Investig· May 2019

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Role played by isopropyl substituents in stabilizing the putative triple bond in Ar'EEAr' [E = Si, Ge, Sn; Ar' = C6H3-2,6-(C6H3-2,6-Pr(i)2)2] and Ar*PbPbAr* [Ar* = C6H3-2,6-(C6H2-2,4,6-Pr(i)3)2].
Issaka Seidu, Michael Seth, Tom Ziegler

Inorg Chem· August 2013

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Modeling Transition Metal Reactions with Range-Separated Functionals.
Michael Seth, Tom Ziegler, Marc Steinmetz, Stefan Grimme

J Chem Theory Comput· May 2013

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Calculation of exchange coupling constants in triply-bridged dinuclear Cu(II) compounds based on spin-flip constricted variational density functional theory.
Issaka Seidu, Hristina R Zhekova, Michael Seth, Tom Ziegler

J Phys Chem A· March 2012

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Range-Separated Exchange Functionals with Slater-Type Functions.
Michael Seth, Tom Ziegler

J Chem Theory Comput· March 2012

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Molecular and vibrational structure of tetroxo d0 metal complexes in their excited states. a study based on time-dependent density functional calculations and Franck-Condon theory.
Linta Jose, Michael Seth, Tom Ziegler

J Phys Chem A· February 2012

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Calculation of the exchange coupling constants of copper binuclear systems based on spin-flip constricted variational density functional theory.
Hristina R Zhekova, Michael Seth, Tom Ziegler

J Chem Phys· November 2011

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First principle simulation of the temperature dependent magnetic circular dichroism of a trinuclear copper complex in the presence of zero field splitting.
Hristina R Zhekova, Michael Seth, Tom Ziegler

J Phys Chem A· September 2011

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Bis[(1S)-1,4-azanediyl-1-(9-deazaadenin-9-yl)-1,4-dideoxy-5-methylsulfanyl-D-ribitol] tetrakis(hydrochloride) monohydrate: structure, DFT energy and ligand docking results of a potent methylthioadenosine phosphorylase inhibitor found in different molecular conformations.
Graeme J Gainsford, Gary B Evans, Karen A Johnston, Michael Seth

Acta Crystallogr C· November 2010

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Density functional theory study of the magnetic circular dichroism spectra of molybdenyl complexes.
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler

Inorg Chem· July 2010

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A magnetic and electronic circular dichroism study of azurin, plastocyanin, cucumber basic protein, and nitrite reductase based on time-dependent density functional theory calculations.
Hristina R Zhekova, Michael Seth, Tom Ziegler

J Phys Chem A· June 2010

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Density functional theory study of the electron paramagnetic resonance parameters and the magnetic circular dichroism spectrum for model compounds of dimethyl sulfoxide reductase.
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler

Inorg Chem· February 2010

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A theoretical study of the magnetic circular dichroism spectrum for sulfite oxidase based on time-dependent density functional theory.
Elizabeth Hernandez-Marin, Michael Seth, Tom Ziegler

Inorg Chem· April 2009

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On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.
Tom Ziegler, Michael Seth, Mykhaylo Krykunov, Jochen Autschbach, Fan Wang

J Chem Phys· April 2009

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Magnetic circular dichroism spectrum of plastocyanin by calculation.
Michael Seth, Tom Ziegler

Inorg Chem· March 2009

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Circular dichroism of trigonal dihedral chromium(III) complexes: a theoretical study based on open-shell time-dependent density functional theory.
Jing Fan, Michael Seth, Jochen Autschbach, Tom Ziegler

Inorg Chem· December 2008

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A revised electronic Hessian for approximate time-dependent density functional theory.
Tom Ziegler, Michael Seth, Mykhaylo Krykunov, Jochen Autschbach

J Chem Phys· November 2008

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Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism. III. Temperature-dependent magnetic circular dichroism induced by spin-orbit coupling.
Michael Seth, Tom Ziegler, Jochen Autschbach

J Chem Phys· September 2008

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Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism. II. Calculation of A terms.
Michael Seth, Mykhaylo Krykunov, Tom Ziegler, Jochen Autschbach

J Chem Phys· June 2008

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Magnetic circular dichroism of phthalocyanine (m=mg, zn) and tetraazaporphyrin (m=mg, zn, ni) metal complexes. A computational study based on time-dependent density functional theory.
G A Peralta, Michael Seth, Hristina Zhekova, Tom Ziegler

Inorg Chem· May 2008

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Application of magnetically perturbed time-dependent density functional theory to magnetic circular dichroism: calculation of B terms.
Michael Seth, Mykhaylo Krykunov, Tom Ziegler, Jochen Autschbach, Arup Banerjee

J Chem Phys· April 2008

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Calculation of the magnetic circular dichroism B term from the imaginary part of the Verdet constant using damped time-dependent density functional theory.
Mykhaylo Krykunov, Michael Seth, Tom Ziegler, Jochen Autschbach

J Chem Phys· December 2007

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Magnetic circular dichroism of porphyrins containing M = Ca, Ni, and Zn. A computational study based on time-dependent density functional theory.
G A Peralta, Michael Seth, Tom Ziegler

Inorg Chem· October 2007

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Formulation of magnetically perturbed time-dependent density functional theory.
Michael Seth, Tom Ziegler

J Chem Phys· October 2007

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Development of a sum-over-states density functional theory for both electric and magnetic static response properties.
Jochen Autschbach, Michael Seth, Tom Ziegler

J Chem Phys· May 2007

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