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Journal of Chemical Theory and Computation
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January 18, 2017
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory
Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, et al.
Journal of Chemical Theory and Computation
|
December 4, 2024
Entanglement and Mutual Information in Molecules: Comparing Localized and Delocalized Orbitals
Lorenzo Tenti, Stefan Peeters, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
October 27, 2016
The "Fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function
Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2016
Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(ii) site of multicopper oxidases
Lorenzo Tenti, Daniel Maynau, Celestino Angeli, et al.
The Journal of Physical Chemistry. A
|
May 29, 2014
Beryllium dimer: a bond based on non-dynamical correlation
Muammar El Khatib, Gian Luigi Bendazzoli, Stefano Evangelisti, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
January 18, 2017
Computation of the Isotropic Hyperfine Coupling Constant: Efficiency and Insights from a New Approach Based on Wave Function Theory
Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, et al.
Journal of Chemical Theory and Computation
|
December 4, 2024
Entanglement and Mutual Information in Molecules: Comparing Localized and Delocalized Orbitals
Lorenzo Tenti, Stefan Peeters, Emmanuel Giner, et al.
The Journal of Chemical Physics
|
October 27, 2016
The "Fermi hole" and the correlation introduced by the symmetrization or the anti-symmetrization of the wave function
Emmanuel Giner, Lorenzo Tenti, Celestino Angeli, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 24, 2016
Highly efficient perturbative + variational strategy based on orthogonal valence bond theory for the evaluation of magnetic coupling constants. Application to the trinuclear Cu(ii) site of multicopper oxidases
Lorenzo Tenti, Daniel Maynau, Celestino Angeli, et al.
The Journal of Physical Chemistry. A
|
May 29, 2014
Beryllium dimer: a bond based on non-dynamical correlation
Muammar El Khatib, Gian Luigi Bendazzoli, Stefano Evangelisti, et al.
Page
of 1