Search research articles
Contact Us
Filters
Showing results (1-10 of 76) with videos related to
Page
of 8
Sort By:
The Journal of Chemical Physics
|
November 26, 2008
Magnetic exchange couplings from noncollinear spin density functional perturbation theory
Juan E Peralta, Veronica Barone
The Journal of Chemical Physics
|
June 1, 2026
Controlling ⟨Ŝ2⟩ in broken-symmetry density functional theory calculations via constrained optimization
Jerónimo Lira, Juan E Peralta
Nano Letters
|
July 16, 2008
Magnetic boron nitride nanoribbons with tunable electronic properties
Veronica Barone, Juan E Peralta
The Journal of Chemical Physics
|
January 26, 2011
The role of range-separated Hartree-Fock exchange in the calculation of magnetic exchange couplings in transition metal complexes
Jordan J Phillips, Juan E Peralta
The Journal of Physical Chemistry. A
|
February 21, 2014
Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexes
Jordan J Phillips, Juan E Peralta
Journal of Chemical Theory and Computation
|
November 26, 2015
Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization
Jordan J Phillips, Juan E Peralta
The Journal of Chemical Physics
|
November 18, 2011
Magnetic exchange couplings from constrained density functional theory: an efficient approach utilizing analytic derivatives
Jordan J Phillips, Juan E Peralta
The Journal of Chemical Physics
|
May 10, 2013
Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: theory, implementation, and application
Jordan J Phillips, Juan E Peralta
Journal of Chemical Theory and Computation
|
December 1, 2015
Magnetic Exchange Couplings with Range-Separated Hybrid Density Functionals
Juan E Peralta, Juan I Melo
The Journal of Chemical Physics
|
July 23, 2004
Relativistic all-electron two-component self-consistent density functional calculations including one-electron scalar and spin-orbit effects
Juan E Peralta, Gustavo E Scuseria
Page
of 8
Search research articles
Search
Showing results (1-10 of 76) with videos related to
Sort By:
Page
of 8
The Journal of Chemical Physics
|
November 26, 2008
Magnetic exchange couplings from noncollinear spin density functional perturbation theory
Juan E Peralta, Veronica Barone
The Journal of Chemical Physics
|
June 1, 2026
Controlling ⟨Ŝ2⟩ in broken-symmetry density functional theory calculations via constrained optimization
Jerónimo Lira, Juan E Peralta
Nano Letters
|
July 16, 2008
Magnetic boron nitride nanoribbons with tunable electronic properties
Veronica Barone, Juan E Peralta
The Journal of Chemical Physics
|
January 26, 2011
The role of range-separated Hartree-Fock exchange in the calculation of magnetic exchange couplings in transition metal complexes
Jordan J Phillips, Juan E Peralta
The Journal of Physical Chemistry. A
|
February 21, 2014
Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexes
Jordan J Phillips, Juan E Peralta
Journal of Chemical Theory and Computation
|
November 26, 2015
Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and Delocalization
Jordan J Phillips, Juan E Peralta
The Journal of Chemical Physics
|
November 18, 2011
Magnetic exchange couplings from constrained density functional theory: an efficient approach utilizing analytic derivatives
Jordan J Phillips, Juan E Peralta
The Journal of Chemical Physics
|
May 10, 2013
Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: theory, implementation, and application
Jordan J Phillips, Juan E Peralta
Journal of Chemical Theory and Computation
|
December 1, 2015
Magnetic Exchange Couplings with Range-Separated Hybrid Density Functionals
Juan E Peralta, Juan I Melo
The Journal of Chemical Physics
|
July 23, 2004
Relativistic all-electron two-component self-consistent density functional calculations including one-electron scalar and spin-orbit effects
Juan E Peralta, Gustavo E Scuseria
Page
of 8