Search research articles
Contact Us
Filters
Showing results (11-20 of 114) with videos related to
Page
of 12
Sort By:
The Journal of Chemical Physics
|
September 25, 2007
Unbiased auxiliary basis sets for accurate two-electron integral approximations
Francesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
Journal of Computational Chemistry
|
July 4, 2015
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigation
Michael Stenrup, Roland Lindh, Ignacio Fdez Galván
The Journal of Chemical Physics
|
May 26, 2007
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
Francesco Aquilante, Thomas Bondo Pedersen, Roland Lindh
The Journal of Chemical Physics
|
July 24, 2008
Analytic derivatives for the Cholesky representation of the two-electron integrals
Francesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
International Journal of Biological Macromolecules
|
August 22, 2020
Unravelling the mechanism of pH-regulation in dinoflagellate luciferase
Natasha Kamerlin, Mickaël G Delcey, Roland Lindh
The Journal of Chemical Physics
|
April 15, 2019
Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods
Chenyang Li, Roland Lindh, Francesco A Evangelista
The Journal of Chemical Physics
|
April 20, 2005
Computation of conical intersections by using perturbation techniques
Luis Serrano-Andrés, Manuela Merchán, Roland Lindh
Journal of Chemical Theory and Computation
|
December 31, 2020
Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced Kriging
Ignacio Fdez Galván, Gerardo Raggi, Roland Lindh
Journal of Chemical Theory and Computation
|
December 8, 2025
Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust Convergence
Ignacio Fdez Galván, Daniel Weßling, Roland Lindh
The Journal of Physical Chemistry. B
|
April 17, 2018
QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies through a Superoxide Ion
Romain Berraud-Pache, Roland Lindh, Isabelle Navizet
Page
of 12
Search research articles
Search
Showing results (11-20 of 114) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
September 25, 2007
Unbiased auxiliary basis sets for accurate two-electron integral approximations
Francesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
Journal of Computational Chemistry
|
July 4, 2015
Constrained numerical gradients and composite gradients: Practical tools for geometry optimization and potential energy surface navigation
Michael Stenrup, Roland Lindh, Ignacio Fdez Galván
The Journal of Chemical Physics
|
May 26, 2007
Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
Francesco Aquilante, Thomas Bondo Pedersen, Roland Lindh
The Journal of Chemical Physics
|
July 24, 2008
Analytic derivatives for the Cholesky representation of the two-electron integrals
Francesco Aquilante, Roland Lindh, Thomas Bondo Pedersen
International Journal of Biological Macromolecules
|
August 22, 2020
Unravelling the mechanism of pH-regulation in dinoflagellate luciferase
Natasha Kamerlin, Mickaël G Delcey, Roland Lindh
The Journal of Chemical Physics
|
April 15, 2019
Dynamically weighted multireference perturbation theory: Combining the advantages of multi-state and state-averaged methods
Chenyang Li, Roland Lindh, Francesco A Evangelista
The Journal of Chemical Physics
|
April 20, 2005
Computation of conical intersections by using perturbation techniques
Luis Serrano-Andrés, Manuela Merchán, Roland Lindh
Journal of Chemical Theory and Computation
|
December 31, 2020
Restricted-Variance Constrained, Reaction Path, and Transition State Molecular Optimizations Using Gradient-Enhanced Kriging
Ignacio Fdez Galván, Gerardo Raggi, Roland Lindh
Journal of Chemical Theory and Computation
|
December 8, 2025
Accelerating SCF Orbital Optimization with S-GEK/RVO: Efficient Subspace Compression and Robust Convergence
Ignacio Fdez Galván, Daniel Weßling, Roland Lindh
The Journal of Physical Chemistry. B
|
April 17, 2018
QM/MM Study of the Formation of the Dioxetanone Ring in Fireflies through a Superoxide Ion
Romain Berraud-Pache, Roland Lindh, Isabelle Navizet
Page
of 12