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Frank Neese

Showing results (471-480 of 560) with videos related to

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Angewandte Chemie (International Ed. in English)|January 25, 2018
The [U<sub>2</sub> F<sub>12</sub> ]<sup>2-</sup> Anion of Sr[U<sub>2</sub> F<sub>12</sub> ]Benjamin Scheibe, Clemens Pietzonka, Otto Mustonen, et al.
Journal of the American Chemical Society|March 19, 2026
A Structurally Authenticated Closed-Shell Iron(IV) Oxo Ferryl Complex: Synthesis, Properties, and ReactivityWeiqing Mao, Zihan Zhang, Martin Keilwerth, et al.
Inorganic Chemistry|November 22, 2021
Effect of Spin-Orbit Coupling on Phonon-Mediated Magnetic Relaxation in a Series of Zero-Valent Vanadium, Niobium, and Tantalum Isocyanide ComplexesKhetpakorn Chakarawet, Mihail Atanasov, John E Ellis, et al.
Journal of Chemical Theory and Computation|June 13, 2025
Orbital Optimization of Large Active Spaces via AI-AcceleratorsÖrs Legeza, Andor Menczer, Ádám Ganyecz, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 19, 2004
Molecular and electronic structure of four- and five-coordinate cobalt complexes containing two o-phenylenediamine- or two o-aminophenol-type ligands at various oxidation levels: an experimental, density functional, and correlated ab initio studyEckhard Bill, Eberhard Bothe, Phalguni Chaudhuri, et al.
Science (New York, N.Y.)|April 25, 2024
Nitrate reduction enables safer aryldiazonium chemistryJavier Mateos, Tim Schulte, Deepak Behera, et al.
Journal of Computational Chemistry|July 5, 2022
Quantum computing in pharma: A multilayer embedding approach for near future applicationsRóbert Izsák, Christoph Riplinger, Nick S Blunt, et al.
The Journal of Physical Chemistry. B|January 5, 2026
Building Nanoplastic Models for Molecular CalculationsBoglárka Szabó, Paul Zaby, Leonard Dick, et al.
Inorganic Chemistry|December 22, 2007
Spectroscopic and theoretical study of a mononuclear manganese(III) complex exhibiting a tetragonally compressed geometryQuirin Scheifele, Christoph Riplinger, Frank Neese, et al.
Inorganic Chemistry|April 14, 2017
Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) ComplexesDavid Schweinfurth, J Krzystek, Mihail Atanasov, et al.
Pageof 56

Showing results (471-480 of 560) with videos related to

Sort By:
Pageof 56
Angewandte Chemie (International Ed. in English)|January 25, 2018
The [U<sub>2</sub> F<sub>12</sub> ]<sup>2-</sup> Anion of Sr[U<sub>2</sub> F<sub>12</sub> ]Benjamin Scheibe, Clemens Pietzonka, Otto Mustonen, et al.
Journal of the American Chemical Society|March 19, 2026
A Structurally Authenticated Closed-Shell Iron(IV) Oxo Ferryl Complex: Synthesis, Properties, and ReactivityWeiqing Mao, Zihan Zhang, Martin Keilwerth, et al.
Inorganic Chemistry|November 22, 2021
Effect of Spin-Orbit Coupling on Phonon-Mediated Magnetic Relaxation in a Series of Zero-Valent Vanadium, Niobium, and Tantalum Isocyanide ComplexesKhetpakorn Chakarawet, Mihail Atanasov, John E Ellis, et al.
Journal of Chemical Theory and Computation|June 13, 2025
Orbital Optimization of Large Active Spaces via AI-AcceleratorsÖrs Legeza, Andor Menczer, Ádám Ganyecz, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|November 19, 2004
Molecular and electronic structure of four- and five-coordinate cobalt complexes containing two o-phenylenediamine- or two o-aminophenol-type ligands at various oxidation levels: an experimental, density functional, and correlated ab initio studyEckhard Bill, Eberhard Bothe, Phalguni Chaudhuri, et al.
Science (New York, N.Y.)|April 25, 2024
Nitrate reduction enables safer aryldiazonium chemistryJavier Mateos, Tim Schulte, Deepak Behera, et al.
Journal of Computational Chemistry|July 5, 2022
Quantum computing in pharma: A multilayer embedding approach for near future applicationsRóbert Izsák, Christoph Riplinger, Nick S Blunt, et al.
The Journal of Physical Chemistry. B|January 5, 2026
Building Nanoplastic Models for Molecular CalculationsBoglárka Szabó, Paul Zaby, Leonard Dick, et al.
Inorganic Chemistry|December 22, 2007
Spectroscopic and theoretical study of a mononuclear manganese(III) complex exhibiting a tetragonally compressed geometryQuirin Scheifele, Christoph Riplinger, Frank Neese, et al.
Inorganic Chemistry|April 14, 2017
Tuning Magnetic Anisotropy Through Ligand Substitution in Five-Coordinate Co(II) ComplexesDavid Schweinfurth, J Krzystek, Mihail Atanasov, et al.
Pageof 56