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The Journal of Chemical Physics
|
October 14, 2024
Assessment of the similarity-transformed equation of motion (STEOM) for open-shell organic and transition metal molecules
Marcos Casanova-Páez, Frank Neese
Journal of Chemical Theory and Computation
|
July 22, 2021
Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet-Singlet and Singlet-Triplet Excitation Energies
Marcos Casanova-Páez, Lars Goerigk
Journal of Computational Chemistry
|
January 8, 2021
Global double hybrids do not work for charge transfer: A comment on "Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states"
Marcos Casanova-Páez, Lars Goerigk
Journal of Chemical Theory and Computation
|
January 28, 2025
Core-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion Theory
Marcos Casanova-Páez, Frank Neese
The Journal of Chemical Physics
|
March 15, 2022
Assessing the Tamm-Dancoff approximation, singlet-singlet, and singlet-triplet excitations with the latest long-range corrected double-hybrid density functionals
Marcos Casanova-Páez, Lars Goerigk
Physical Chemistry Chemical Physics : PCCP
|
August 1, 2018
Semi-empirical or non-empirical double-hybrid density functionals: which are more robust?
Nisha Mehta, Marcos Casanova-Páez, Lars Goerigk
The Journal of Physical Chemistry. A
|
May 3, 2021
Analysis of Recent BLYP- and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
Asim Najibi, Marcos Casanova-Páez, Lars Goerigk
ACS Physical Chemistry Au
|
March 1, 2023
Assessing Recent Time-Dependent Double-Hybrid Density Functionals on Doublet-Doublet Excitations
Joshua Van Dijk, Marcos Casanova-Páez, Lars Goerigk
Journal of Chemical Theory and Computation
|
July 13, 2019
ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies
Marcos Casanova-Páez, Michael B Dardis, Lars Goerigk
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
February 7, 2007
Episodic synchronization in dynamically driven neurons
Pablo Balenzuela, Javier M Buldú, Marcos Casanova, et al.
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Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
October 14, 2024
Assessment of the similarity-transformed equation of motion (STEOM) for open-shell organic and transition metal molecules
Marcos Casanova-Páez, Frank Neese
Journal of Chemical Theory and Computation
|
July 22, 2021
Time-Dependent Long-Range-Corrected Double-Hybrid Density Functionals with Spin-Component and Spin-Opposite Scaling: A Comprehensive Analysis of Singlet-Singlet and Singlet-Triplet Excitation Energies
Marcos Casanova-Páez, Lars Goerigk
Journal of Computational Chemistry
|
January 8, 2021
Global double hybrids do not work for charge transfer: A comment on "Double hybrids and time-dependent density functional theory: An implementation and benchmark on charge transfer excited states"
Marcos Casanova-Páez, Lars Goerigk
Journal of Chemical Theory and Computation
|
January 28, 2025
Core-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion Theory
Marcos Casanova-Páez, Frank Neese
The Journal of Chemical Physics
|
March 15, 2022
Assessing the Tamm-Dancoff approximation, singlet-singlet, and singlet-triplet excitations with the latest long-range corrected double-hybrid density functionals
Marcos Casanova-Páez, Lars Goerigk
Physical Chemistry Chemical Physics : PCCP
|
August 1, 2018
Semi-empirical or non-empirical double-hybrid density functionals: which are more robust?
Nisha Mehta, Marcos Casanova-Páez, Lars Goerigk
The Journal of Physical Chemistry. A
|
May 3, 2021
Analysis of Recent BLYP- and PBE-Based Range-Separated Double-Hybrid Density Functional Approximations for Main-Group Thermochemistry, Kinetics, and Noncovalent Interactions
Asim Najibi, Marcos Casanova-Páez, Lars Goerigk
ACS Physical Chemistry Au
|
March 1, 2023
Assessing Recent Time-Dependent Double-Hybrid Density Functionals on Doublet-Doublet Excitations
Joshua Van Dijk, Marcos Casanova-Páez, Lars Goerigk
Journal of Chemical Theory and Computation
|
July 13, 2019
ωB2PLYP and ωB2GPPLYP: The First Two Double-Hybrid Density Functionals with Long-Range Correction Optimized for Excitation Energies
Marcos Casanova-Páez, Michael B Dardis, Lars Goerigk
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
February 7, 2007
Episodic synchronization in dynamically driven neurons
Pablo Balenzuela, Javier M Buldú, Marcos Casanova, et al.
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of 1