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Journal of Chemical Theory and Computation
|
November 7, 2025
Multicomponent Double-Hybrid Density Functional Theory
Lukas Hasecke, Ricardo A Mata
Journal of Chemical Theory and Computation
|
November 3, 2023
Nuclear Quantum Effects Made Accessible: Local Density Fitting in Multicomponent Methods
Lukas Hasecke, Ricardo A Mata
The Journal of Physical Chemistry. A
|
April 15, 2024
Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach
Lukas Hasecke, Ricardo A Mata
Journal of Chemical Theory and Computation
|
November 8, 2024
Local Electronic Correlation in Multicomponent Møller-Plesset Perturbation Theory
Lukas Hasecke, Ricardo A Mata
Chemical Science
|
May 26, 2025
Accurate vibrational hydrogen-bond shift predictions with multicomponent DFT
Martí Gimferrer, Lukas Hasecke, Margarethe Bödecker, et al.
Molecules (Basel, Switzerland)
|
November 11, 2020
A Review of Density Functional Models for the Description of Fe(II) Spin-Crossover Complexes
Anton Römer, Lukas Hasecke, Peter Blöchl, et al.
The Journal of Physical Chemistry. A
|
April 7, 2025
Addressing Anharmonic Effects with Density-Fitted Multicomponent Density Functional Theory
Lukas Hasecke, Maximilian Breitenbach, Martí Gimferrer, et al.
Journal of Chemical Information and Modeling
|
March 15, 2021
Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome
Jon Uranga, Lukas Hasecke, Jonny Proppe, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 7, 2025
Multicomponent Double-Hybrid Density Functional Theory
Lukas Hasecke, Ricardo A Mata
Journal of Chemical Theory and Computation
|
November 3, 2023
Nuclear Quantum Effects Made Accessible: Local Density Fitting in Multicomponent Methods
Lukas Hasecke, Ricardo A Mata
The Journal of Physical Chemistry. A
|
April 15, 2024
Optimization of Quantum Nuclei Positions with the Adaptive Nuclear-Electronic Orbital Approach
Lukas Hasecke, Ricardo A Mata
Journal of Chemical Theory and Computation
|
November 8, 2024
Local Electronic Correlation in Multicomponent Møller-Plesset Perturbation Theory
Lukas Hasecke, Ricardo A Mata
Chemical Science
|
May 26, 2025
Accurate vibrational hydrogen-bond shift predictions with multicomponent DFT
Martí Gimferrer, Lukas Hasecke, Margarethe Bödecker, et al.
Molecules (Basel, Switzerland)
|
November 11, 2020
A Review of Density Functional Models for the Description of Fe(II) Spin-Crossover Complexes
Anton Römer, Lukas Hasecke, Peter Blöchl, et al.
The Journal of Physical Chemistry. A
|
April 7, 2025
Addressing Anharmonic Effects with Density-Fitted Multicomponent Density Functional Theory
Lukas Hasecke, Maximilian Breitenbach, Martí Gimferrer, et al.
Journal of Chemical Information and Modeling
|
March 15, 2021
Theoretical Studies of the Acid-Base Equilibria in a Model Active Site of the Human 20S Proteasome
Jon Uranga, Lukas Hasecke, Jonny Proppe, et al.
Page
of 1