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Frank Neese

Showing results (261-270 of 560) with videos related to

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Journal of the American Chemical Society|June 29, 2010
Probing valence orbital composition with iron Kbeta X-ray emission spectroscopyNicole Lee, Taras Petrenko, Uwe Bergmann, et al.
Chemical Communications (Cambridge, England)|August 19, 2010
Unsymmetrical one-electron oxidized Ni(II)-bis(salicylidene) complexes: a protonation-induced shift of the oxidation siteAmélie Kochem, Maylis Orio, Olivier Jarjayes, et al.
Journal of the American Chemical Society|September 17, 2004
Molecular and electronic structures of bis-(o-diiminobenzosemiquinonato)metal(II) complexes (Ni, Pd, Pt), their monocations and -anions, and of dimeric dications containing weak metal-metal bondsDiran Herebian, Eberhard Bothe, Frank Neese, et al.
Journal of the American Chemical Society|February 9, 2006
Electronic structure of binuclear mixed valence copper azacryptates derived from integrated advanced EPR and DFT calculationsShifra Kababya, Jane Nelson, Carlos Calle, et al.
The Journal of Physical Chemistry. A|February 10, 2006
Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS)Sebastian Sinnecker, Arivazhagan Rajendran, Andreas Klamt, et al.
Chemical Science|January 13, 2025
Understanding and quantifying the impact of solute-solvent van der Waals interactions on the selectivity of asymmetric catalytic transformationsRiya Kayal, Lorenzo Baldinelli, Ingolf Harden, et al.
Inorganic Chemistry|May 29, 2007
Bis(alpha-diimine)nickel complexes: molecular and electronic structure of three members of the electron-transfer series [Ni(L)(2)](z)() (z = 0, 1+, 2+) (L = 2-Phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A combined experimental and theoretical studyNicoleta Muresan, Krzysztof Chlopek, Thomas Weyhermüller, et al.
Angewandte Chemie (International Ed. in English)|January 10, 2020
Walter Thiel (1949-2019)Alois Fürstner, Benjamin List, Tobias Ritter, et al.
Journal of the American Chemical Society|September 16, 2018
Enhanced Electrophilicity of Heterobimetallic Bi-Rh Paddlewheel Carbene Complexes: A Combined Experimental, Spectroscopic, and Computational StudyLee R Collins, Maurice van Gastel, Frank Neese, et al.
The Journal of Chemical Physics|April 17, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitalsFabijan Pavošević, Peter Pinski, Christoph Riplinger, et al.
Pageof 56

Showing results (261-270 of 560) with videos related to

Sort By:
Pageof 56
Journal of the American Chemical Society|June 29, 2010
Probing valence orbital composition with iron Kbeta X-ray emission spectroscopyNicole Lee, Taras Petrenko, Uwe Bergmann, et al.
Chemical Communications (Cambridge, England)|August 19, 2010
Unsymmetrical one-electron oxidized Ni(II)-bis(salicylidene) complexes: a protonation-induced shift of the oxidation siteAmélie Kochem, Maylis Orio, Olivier Jarjayes, et al.
Journal of the American Chemical Society|September 17, 2004
Molecular and electronic structures of bis-(o-diiminobenzosemiquinonato)metal(II) complexes (Ni, Pd, Pt), their monocations and -anions, and of dimeric dications containing weak metal-metal bondsDiran Herebian, Eberhard Bothe, Frank Neese, et al.
Journal of the American Chemical Society|February 9, 2006
Electronic structure of binuclear mixed valence copper azacryptates derived from integrated advanced EPR and DFT calculationsShifra Kababya, Jane Nelson, Carlos Calle, et al.
The Journal of Physical Chemistry. A|February 10, 2006
Calculation of solvent shifts on electronic g-tensors with the conductor-like screening model (COSMO) and its self-consistent generalization to real solvents (direct COSMO-RS)Sebastian Sinnecker, Arivazhagan Rajendran, Andreas Klamt, et al.
Chemical Science|January 13, 2025
Understanding and quantifying the impact of solute-solvent van der Waals interactions on the selectivity of asymmetric catalytic transformationsRiya Kayal, Lorenzo Baldinelli, Ingolf Harden, et al.
Inorganic Chemistry|May 29, 2007
Bis(alpha-diimine)nickel complexes: molecular and electronic structure of three members of the electron-transfer series [Ni(L)(2)](z)() (z = 0, 1+, 2+) (L = 2-Phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A combined experimental and theoretical studyNicoleta Muresan, Krzysztof Chlopek, Thomas Weyhermüller, et al.
Angewandte Chemie (International Ed. in English)|January 10, 2020
Walter Thiel (1949-2019)Alois Fürstner, Benjamin List, Tobias Ritter, et al.
Journal of the American Chemical Society|September 16, 2018
Enhanced Electrophilicity of Heterobimetallic Bi-Rh Paddlewheel Carbene Complexes: A Combined Experimental, Spectroscopic, and Computational StudyLee R Collins, Maurice van Gastel, Frank Neese, et al.
The Journal of Chemical Physics|April 17, 2016
SparseMaps--A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitalsFabijan Pavošević, Peter Pinski, Christoph Riplinger, et al.
Pageof 56