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Physical Chemistry Chemical Physics : PCCP
|
May 7, 2010
Application of high level wavefunction methods in quantum mechanics/molecular mechanics hybrid schemes
Ricardo A Mata
Journal of Chemical Information and Modeling
|
May 1, 2023
The Catalytic Mechanism of Acetoacetate Decarboxylase: A Detailed Study of Schiff Base Formation, Protonation States, and Their Impact on Catalysis
Jon Uranga, Ricardo A Mata
Journal of Computational Chemistry
|
November 1, 2016
Visualizing dispersion interactions through the use of local orbital spaces
Axel Wuttke, 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 20, 2015
Local Hybrid QM/QM Calculations of Reaction Pathways in Metallobiosites
Milica Andrejić, Ricardo A Mata
The Journal of Chemical Physics
|
January 26, 2011
An incremental correlation approach to excited state energies based on natural transition/localized orbitals
Ricardo A Mata, Hermann Stoll
Journal of Chemical Theory and Computation
|
August 29, 2018
Hybrid Local Molecular Orbital: Molecular Orbital Calculations for Open Shell Systems
Milica Feldt, Ricardo A Mata
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
Physical Chemistry Chemical Physics : PCCP
|
September 25, 2013
Study of ligand effects in aurophilic interactions using local correlation methods
Milica Andrejić, Ricardo A Mata
Page
of 11
Search research articles
Search
Showing results (1-10 of 108) with videos related to
Sort By:
Page
of 11
Physical Chemistry Chemical Physics : PCCP
|
May 7, 2010
Application of high level wavefunction methods in quantum mechanics/molecular mechanics hybrid schemes
Ricardo A Mata
Journal of Chemical Information and Modeling
|
May 1, 2023
The Catalytic Mechanism of Acetoacetate Decarboxylase: A Detailed Study of Schiff Base Formation, Protonation States, and Their Impact on Catalysis
Jon Uranga, Ricardo A Mata
Journal of Computational Chemistry
|
November 1, 2016
Visualizing dispersion interactions through the use of local orbital spaces
Axel Wuttke, 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 20, 2015
Local Hybrid QM/QM Calculations of Reaction Pathways in Metallobiosites
Milica Andrejić, Ricardo A Mata
The Journal of Chemical Physics
|
January 26, 2011
An incremental correlation approach to excited state energies based on natural transition/localized orbitals
Ricardo A Mata, Hermann Stoll
Journal of Chemical Theory and Computation
|
August 29, 2018
Hybrid Local Molecular Orbital: Molecular Orbital Calculations for Open Shell Systems
Milica Feldt, Ricardo A Mata
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
Physical Chemistry Chemical Physics : PCCP
|
September 25, 2013
Study of ligand effects in aurophilic interactions using local correlation methods
Milica Andrejić, Ricardo A Mata
Page
of 11