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The Journal of Chemical Physics|August 11, 2020
Double-hybrid density functional theory for g-tensor calculations using gauge including atomic orbitalsV A Tran, F NeeseThe Journal of Chemical Physics|September 11, 2012
One-electron contributions to the g-tensor for second-order Douglas-Kroll-Hess theoryB Sandhoefer, F NeesePhysical Chemistry Chemical Physics : PCCP|August 31, 2022
Magnetic exchange and valence delocalization in a mixed valence [Fe<sup>2+</sup>Fe<sup>3+</sup>Te<sub>2</sub>]<sup>+</sup> complex: insights from theory and interpretations of magnetic and spectroscopic dataM Atanasov, N Spiller, F NeeseThe Journal of Chemical Physics|September 28, 2004
High-resolution spectroscopy of the 2(2)Piu<--X4Sigmag- forbidden transitions of C2+Christopher G Tarsitano, Christopher F Neese, Takeshi OkaThe Journal of Physical Chemistry. A|March 16, 2013
Hot band spectroscopy of the formyl cation, H12C16O+Christopher F Neese, Peter S Kreynin, Takeshi OkaChemical Communications (Cambridge, England)|December 24, 2014
Mössbauer and computational investigation of a functional [NiFe] hydrogenase model complexA Kochem, E Bill, F Neese, et al.Biochemical Society Transactions|January 26, 2005
EPR experiments to elucidate the structure of the ready and unready states of the [NiFe] hydrogenase of Desulfovibrio vulgaris Miyazaki FM van Gastel, C Fichtner, F Neese, et al.Chemistry & Biology|January 31, 1998
New insights from spectroscopy into the structure/function relationships of lipoxygenasesE I Solomon, J Zhou, F Neese, et al.Biochemical Society Transactions|August 28, 2002
Pentahaem cytochrome c nitrite reductase: reaction with hydroxylamine, a potential reaction intermediate and substrateM Rudolf, O Einsle, F Neese, et al.Inorganic Chemistry|December 17, 2009
Spin interaction in octahedral zinc complexes of mono- and diradical Schiff and mannich basesM Orio, C Philouze, O Jarjayes, et al.Pageof 5