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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 12, 2025
Optimizing Extended Tight-Binding Methods for Metal-Surface Interactions
Siyavash Moradi, Pooria Dabbaghi, Christopher J Stein
The Journal of Physical Chemistry Letters
|
October 16, 2019
Orbital Entanglement Analysis of Exchange-Coupled Systems
Christopher J Stein, Dimitrios A Pantazis, Vera Krewald
Journal of Chemical Theory and Computation
|
July 14, 2016
The Delicate Balance of Static and Dynamic Electron Correlation
Christopher J Stein, Vera von Burg, Markus Reiher
The Journal of Chemical Physics
|
December 16, 2019
The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients
Christopher J Stein, John M Herbert, Martin Head-Gordon
The Journal of Chemical Physics
|
March 10, 2019
Optimization of highly excited matrix product states with an application to vibrational spectroscopy
Alberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Angewandte Chemie (International Ed. in English)
|
March 15, 2025
Competition between One- and Two-Electron Unimolecular Reactions of Late 3d-Metal Complexes [(Me<sub>3</sub>SiCH<sub>2</sub>)<sub>n</sub>M]<sup>-</sup>(M = Fe, Co, Ni, and Cu; n = 2-4)
Torben Kühl, Lisa Hetzel, Christopher J Stein, et al.
Journal of Chemical Theory and Computation
|
July 6, 2017
Vibrational Density Matrix Renormalization Group
Alberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2025
An improved guess for the variational calculation of charge-transfer excitations in large systems
Nicola Bogo, Zeyi Zhang, Martin Head-Gordon, et al.
Journal of Computational Chemistry
|
March 10, 2026
Extensions to Extended Tight-Binding Methods for Transition-Metal Containing Systems
Siyavash Moradi, Rebecca Tomann, Martin Head-Gordon, et al.
Photochemistry and Photobiology
|
May 14, 2017
Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models
Denis G Artiukhin, Christopher J Stein, Markus Reiher, et al.
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Search research articles
Search
Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 12, 2025
Optimizing Extended Tight-Binding Methods for Metal-Surface Interactions
Siyavash Moradi, Pooria Dabbaghi, Christopher J Stein
The Journal of Physical Chemistry Letters
|
October 16, 2019
Orbital Entanglement Analysis of Exchange-Coupled Systems
Christopher J Stein, Dimitrios A Pantazis, Vera Krewald
Journal of Chemical Theory and Computation
|
July 14, 2016
The Delicate Balance of Static and Dynamic Electron Correlation
Christopher J Stein, Vera von Burg, Markus Reiher
The Journal of Chemical Physics
|
December 16, 2019
The Poisson-Boltzmann model for implicit solvation of electrolyte solutions: Quantum chemical implementation and assessment via Sechenov coefficients
Christopher J Stein, John M Herbert, Martin Head-Gordon
The Journal of Chemical Physics
|
March 10, 2019
Optimization of highly excited matrix product states with an application to vibrational spectroscopy
Alberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Angewandte Chemie (International Ed. in English)
|
March 15, 2025
Competition between One- and Two-Electron Unimolecular Reactions of Late 3d-Metal Complexes [(Me<sub>3</sub>SiCH<sub>2</sub>)<sub>n</sub>M]<sup>-</sup>(M = Fe, Co, Ni, and Cu; n = 2-4)
Torben Kühl, Lisa Hetzel, Christopher J Stein, et al.
Journal of Chemical Theory and Computation
|
July 6, 2017
Vibrational Density Matrix Renormalization Group
Alberto Baiardi, Christopher J Stein, Vincenzo Barone, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 6, 2025
An improved guess for the variational calculation of charge-transfer excitations in large systems
Nicola Bogo, Zeyi Zhang, Martin Head-Gordon, et al.
Journal of Computational Chemistry
|
March 10, 2026
Extensions to Extended Tight-Binding Methods for Transition-Metal Containing Systems
Siyavash Moradi, Rebecca Tomann, Martin Head-Gordon, et al.
Photochemistry and Photobiology
|
May 14, 2017
Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models
Denis G Artiukhin, Christopher J Stein, Markus Reiher, et al.
Page
of 4