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The Journal of Chemical Physics
|
February 2, 2022
Simple evaluation of dynamic disorder effects on exciton transport
Abel Carreras, David Casanova
Physical Chemistry Chemical Physics : PCCP
|
October 27, 2010
Quantifying the symmetry content of the electronic structure of molecules: molecular orbitals and the wave function
David Casanova, Pere Alemany
Journal of Chemical Theory and Computation
|
January 6, 2026
Spin-Permutation Diabatization: A General Framework for Spin Localization and Exchange Coupling
Alicia Omist, David Casanova
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2025
Efficient state-interaction approach for the <i>g</i>-matrix analysis in high-spin molecules
Antonio Cebreiro-Gallardo, David Casanova
The Journal of Physical Chemistry Letters
|
July 30, 2021
Benzene Excimer and Excited Multimers: Electronic Character, Interaction Nature, and Aromaticity
Aitor Diaz-Andres, David Casanova
The Journal of Chemical Physics
|
August 22, 2008
The spin-flip extended single excitation configuration interaction method
David Casanova, Martin Head-Gordon
The Journal of Chemical Physics
|
January 10, 2016
Quantifying local exciton, charge resonance, and multiexciton character in correlated wave functions of multichromophoric systems
David Casanova, Anna I Krylov
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2020
Spin-flip methods in quantum chemistry
David Casanova, Anna I Krylov
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2009
Restricted active space spin-flip configuration interaction approach: theory, implementation and examples
David Casanova, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
June 18, 2025
State-Interaction Approach for <i>g</i>-Matrix Calculations in TDDFT: Ground-Excited State Couplings and beyond First-Order Spin-Orbit Effects
Antonio Cebreiro-Gallardo, David Casanova
Page
of 16
Search research articles
Search
Showing results (11-20 of 153) with videos related to
Sort By:
Page
of 16
The Journal of Chemical Physics
|
February 2, 2022
Simple evaluation of dynamic disorder effects on exciton transport
Abel Carreras, David Casanova
Physical Chemistry Chemical Physics : PCCP
|
October 27, 2010
Quantifying the symmetry content of the electronic structure of molecules: molecular orbitals and the wave function
David Casanova, Pere Alemany
Journal of Chemical Theory and Computation
|
January 6, 2026
Spin-Permutation Diabatization: A General Framework for Spin Localization and Exchange Coupling
Alicia Omist, David Casanova
Physical Chemistry Chemical Physics : PCCP
|
March 19, 2025
Efficient state-interaction approach for the <i>g</i>-matrix analysis in high-spin molecules
Antonio Cebreiro-Gallardo, David Casanova
The Journal of Physical Chemistry Letters
|
July 30, 2021
Benzene Excimer and Excited Multimers: Electronic Character, Interaction Nature, and Aromaticity
Aitor Diaz-Andres, David Casanova
The Journal of Chemical Physics
|
August 22, 2008
The spin-flip extended single excitation configuration interaction method
David Casanova, Martin Head-Gordon
The Journal of Chemical Physics
|
January 10, 2016
Quantifying local exciton, charge resonance, and multiexciton character in correlated wave functions of multichromophoric systems
David Casanova, Anna I Krylov
Physical Chemistry Chemical Physics : PCCP
|
January 23, 2020
Spin-flip methods in quantum chemistry
David Casanova, Anna I Krylov
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2009
Restricted active space spin-flip configuration interaction approach: theory, implementation and examples
David Casanova, Martin Head-Gordon
Journal of Chemical Theory and Computation
|
June 18, 2025
State-Interaction Approach for <i>g</i>-Matrix Calculations in TDDFT: Ground-Excited State Couplings and beyond First-Order Spin-Orbit Effects
Antonio Cebreiro-Gallardo, David Casanova
Page
of 16