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Physical Chemistry Chemical Physics : PCCP
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February 16, 2026
Correction: Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations
Nicola Bogo, Christopher J Stein
The Journal of Physical Chemistry. A
|
February 28, 2023
A Statistical Perspective on Microsolvation
Mohammad Rahbar, Christopher J Stein
Chimia
|
April 28, 2017
Automated Identification of Relevant Frontier Orbitals for Chemical Compounds and Processes
Christopher J Stein, Markus Reiher
Angewandte Chemie (International Ed. in English)
|
August 7, 2025
Efficient Electronic-Structure Methods Toward Catalyst Screening: Projection-Based Embedding Theory for CO<sub>2</sub> Reduction Reaction Intermediates
Elena Kolodzeiski, Christopher J Stein
Journal of Chemical Theory and Computation
|
March 10, 2016
Automated Selection of Active Orbital Spaces
Christopher J Stein, Markus Reiher
Journal of Chemical Theory and Computation
|
September 29, 2023
Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum Embedding
Elena Kolodzeiski, Christopher J Stein
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 11, 2026
Short-Range Machine-Learning Potentials for Aqueous Electrolyte Solutions
Lisa Hetzel, Christopher J Stein
Physical Chemistry Chemical Physics : PCCP
|
July 31, 2024
Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations
Nicola Bogo, Christopher J Stein
The Journal of Physical Chemistry. A
|
March 19, 2020
Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic Correlation
Christopher J Stein, Markus Reiher
Journal of Computational Chemistry
|
June 8, 2019
autoCAS: A Program for Fully Automated Multiconfigurational Calculations
Christopher J Stein, Markus Reiher
Page
of 4
Search research articles
Search
Showing results (1-10 of 37) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
February 16, 2026
Correction: Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations
Nicola Bogo, Christopher J Stein
The Journal of Physical Chemistry. A
|
February 28, 2023
A Statistical Perspective on Microsolvation
Mohammad Rahbar, Christopher J Stein
Chimia
|
April 28, 2017
Automated Identification of Relevant Frontier Orbitals for Chemical Compounds and Processes
Christopher J Stein, Markus Reiher
Angewandte Chemie (International Ed. in English)
|
August 7, 2025
Efficient Electronic-Structure Methods Toward Catalyst Screening: Projection-Based Embedding Theory for CO<sub>2</sub> Reduction Reaction Intermediates
Elena Kolodzeiski, Christopher J Stein
Journal of Chemical Theory and Computation
|
March 10, 2016
Automated Selection of Active Orbital Spaces
Christopher J Stein, Markus Reiher
Journal of Chemical Theory and Computation
|
September 29, 2023
Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum Embedding
Elena Kolodzeiski, Christopher J Stein
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 11, 2026
Short-Range Machine-Learning Potentials for Aqueous Electrolyte Solutions
Lisa Hetzel, Christopher J Stein
Physical Chemistry Chemical Physics : PCCP
|
July 31, 2024
Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations
Nicola Bogo, Christopher J Stein
The Journal of Physical Chemistry. A
|
March 19, 2020
Semiclassical Dispersion Corrections Efficiently Improve Multiconfigurational Theory with Short-Range Density-Functional Dynamic Correlation
Christopher J Stein, Markus Reiher
Journal of Computational Chemistry
|
June 8, 2019
autoCAS: A Program for Fully Automated Multiconfigurational Calculations
Christopher J Stein, Markus Reiher
Page
of 4