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Journal of Chemical Theory and Computation
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September 15, 2025
Understanding Electronic Excitations Between Single Determinants with Occupied-Virtual Orbitals for Chemical Valence
Hengyuan Shen, Nicola Bogo, Christopher J Stein, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 13, 2021
Origin of the different reactivity of the high-valent coinage-metal complexes [RCu<sup>iii</sup> Me<sub>3</sub> ]<sup>-</sup> and [RAg<sup>iii</sup> Me<sub>3</sub> ]<sup>-</sup> (R=allyl)
Thomas Auth, Christopher J Stein, Richard A J O'Hair, et al.
Angewandte Chemie (International Ed. in English)
|
May 11, 2017
Cooperative Light-Activated Iodine and Photoredox Catalysis for the Amination of Csp3 -H Bonds
Peter Becker, Thomas Duhamel, Christopher J Stein, et al.
Journal of Computational Chemistry
|
August 23, 2024
Spin parameter optimization for spin-polarized extended tight-binding methods
Siyavash Moradi, Rebecca Tomann, Josie Hendrix, et al.
Journal of the American Chemical Society
|
December 5, 2025
Catalytic Enantioselective [6π] Photocyclization Reactions by Chromophore Activation with a Chiral Lewis Acid
Dominik Grünwald, Chithra Mohan Jayakumari, Noah Jeremias, et al.
Angewandte Chemie (International Ed. in English)
|
January 26, 2024
Enantioselective Intramolecular ortho Photocycloaddition Reactions of 2-Acetonaphthones
Peng Yan, Simone Stegbauer, Qinqin Wu, et al.
Chemical Science
|
October 31, 2024
London dispersion driven compaction of coordination cages in the gas-phase - a combined ion mobility and theoretical study
Christoph Drechsler, Ananya Baksi, André Platzek, et al.
Chimia
|
May 1, 2016
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation
Stefan Knecht, Erik Donovan Hedegård, Sebastian Keller, et al.
Angewandte Chemie (International Ed. in English)
|
December 3, 2024
Chiral Pd<sub>2</sub>L<sub>4</sub> Capsules from Readily Accessible Tröger's Base Ligands Inducing Circular Dichroism on Fullerenes C<sub>60</sub> and C<sub>70</sub>
Elie Benchimol, Helen M O'Connor, Björn Schmidt, et al.
Journal of the American Chemical Society
|
June 27, 2017
Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) Complexes
Shashi Bhushan Sinha, Dimitar Y Shopov, Liam S Sharninghausen, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
September 15, 2025
Understanding Electronic Excitations Between Single Determinants with Occupied-Virtual Orbitals for Chemical Valence
Hengyuan Shen, Nicola Bogo, Christopher J Stein, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
November 13, 2021
Origin of the different reactivity of the high-valent coinage-metal complexes [RCu<sup>iii</sup> Me<sub>3</sub> ]<sup>-</sup> and [RAg<sup>iii</sup> Me<sub>3</sub> ]<sup>-</sup> (R=allyl)
Thomas Auth, Christopher J Stein, Richard A J O'Hair, et al.
Angewandte Chemie (International Ed. in English)
|
May 11, 2017
Cooperative Light-Activated Iodine and Photoredox Catalysis for the Amination of Csp3 -H Bonds
Peter Becker, Thomas Duhamel, Christopher J Stein, et al.
Journal of Computational Chemistry
|
August 23, 2024
Spin parameter optimization for spin-polarized extended tight-binding methods
Siyavash Moradi, Rebecca Tomann, Josie Hendrix, et al.
Journal of the American Chemical Society
|
December 5, 2025
Catalytic Enantioselective [6π] Photocyclization Reactions by Chromophore Activation with a Chiral Lewis Acid
Dominik Grünwald, Chithra Mohan Jayakumari, Noah Jeremias, et al.
Angewandte Chemie (International Ed. in English)
|
January 26, 2024
Enantioselective Intramolecular ortho Photocycloaddition Reactions of 2-Acetonaphthones
Peng Yan, Simone Stegbauer, Qinqin Wu, et al.
Chemical Science
|
October 31, 2024
London dispersion driven compaction of coordination cages in the gas-phase - a combined ion mobility and theoretical study
Christoph Drechsler, Ananya Baksi, André Platzek, et al.
Chimia
|
May 1, 2016
New Approaches for ab initio Calculations of Molecules with Strong Electron Correlation
Stefan Knecht, Erik Donovan Hedegård, Sebastian Keller, et al.
Angewandte Chemie (International Ed. in English)
|
December 3, 2024
Chiral Pd<sub>2</sub>L<sub>4</sub> Capsules from Readily Accessible Tröger's Base Ligands Inducing Circular Dichroism on Fullerenes C<sub>60</sub> and C<sub>70</sub>
Elie Benchimol, Helen M O'Connor, Björn Schmidt, et al.
Journal of the American Chemical Society
|
June 27, 2017
Redox Activity of Oxo-Bridged Iridium Dimers in an N,O-Donor Environment: Characterization of Remarkably Stable Ir(IV,V) Complexes
Shashi Bhushan Sinha, Dimitar Y Shopov, Liam S Sharninghausen, et al.
Page
of 4