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Journal of Chemical Theory and Computation
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December 17, 2021
Correction to On-the-Fly Training of Atomistic Potentials for Flexible and Mechanically Interlocked Molecules
Elena Kolodzeiski, Saeed Amirjalayer
Physical Chemistry Chemical Physics : PCCP
|
February 18, 2021
Collective structural properties of embedded molecular motors in functionalized metal-organic frameworks
Elena Kolodzeiski, Saeed Amirjalayer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 6, 2019
Atomistic Insight Into the Host-Guest Interaction of a Photoresponsive Metal-Organic Framework
Elena Kolodzeiski, Saeed Amirjalayer
Journal of Chemical Theory and Computation
|
October 6, 2021
On-the-Fly Training of Atomistic Potentials for Flexible and Mechanically Interlocked Molecules
Elena Kolodzeiski, Saeed Amirjalayer
Science Advances
|
July 1, 2022
Dynamic network of intermolecular interactions in metal-organic frameworks functionalized by molecular machines
Elena Kolodzeiski, Saeed Amirjalayer
The Journal of Physical Chemistry. B
|
November 11, 2020
Elucidating the Impact of Molecular Motors on Their Solvation Environment
Elena Kolodzeiski, Saeed Amirjalayer
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
|
September 29, 2023
Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum Embedding
Elena Kolodzeiski, Christopher J Stein
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.
Journal of the American Chemical Society
|
September 12, 2018
Elucidating the Binding Modes of N-Heterocyclic Carbenes on a Gold Surface
Anne Bakker, Alexander Timmer, Elena Kolodzeiski, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 17, 2021
Correction to On-the-Fly Training of Atomistic Potentials for Flexible and Mechanically Interlocked Molecules
Elena Kolodzeiski, Saeed Amirjalayer
Physical Chemistry Chemical Physics : PCCP
|
February 18, 2021
Collective structural properties of embedded molecular motors in functionalized metal-organic frameworks
Elena Kolodzeiski, Saeed Amirjalayer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
December 6, 2019
Atomistic Insight Into the Host-Guest Interaction of a Photoresponsive Metal-Organic Framework
Elena Kolodzeiski, Saeed Amirjalayer
Journal of Chemical Theory and Computation
|
October 6, 2021
On-the-Fly Training of Atomistic Potentials for Flexible and Mechanically Interlocked Molecules
Elena Kolodzeiski, Saeed Amirjalayer
Science Advances
|
July 1, 2022
Dynamic network of intermolecular interactions in metal-organic frameworks functionalized by molecular machines
Elena Kolodzeiski, Saeed Amirjalayer
The Journal of Physical Chemistry. B
|
November 11, 2020
Elucidating the Impact of Molecular Motors on Their Solvation Environment
Elena Kolodzeiski, Saeed Amirjalayer
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
|
September 29, 2023
Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum Embedding
Elena Kolodzeiski, Christopher J Stein
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.
Journal of the American Chemical Society
|
September 12, 2018
Elucidating the Binding Modes of N-Heterocyclic Carbenes on a Gold Surface
Anne Bakker, Alexander Timmer, Elena Kolodzeiski, et al.
Page
of 2