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Luan G F Dos Santos

Showing results (1-10 of 6) with videos related to

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Physical Chemistry Chemical Physics : PCCP|May 21, 2025
Charge transfer within excited states of boron/nitrogen doped polycyclic aromatic hydrocarbonsLuan G F Dos Santos, Julio C V Chagas, Reed Nieman, et al.
Journal of Chemical Information and Modeling|January 28, 2025
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data AugmentationLuan G F Dos Santos, Benjamin T Nebgen, Alice E A Allen, et al.
Journal of Computational Chemistry|January 20, 2025
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN DopingLuan G F Dos Santos, Julio C V Chagas, Luiz F A Ferrão, et al.
Physical Chemistry Chemical Physics : PCCP|April 1, 2025
Low-lying excited states of linear all-<i>trans</i> polyenes: the σ-π electron correlation and the description of ionic statesJulio C V Chagas, Luan G F Dos Santos, Reed Nieman, et al.
Journal of Chemical Theory and Computation|May 4, 2026
Low-Lying Excited States of Linear All-<i>Trans</i> Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration InteractionJulio C V Chagas, Luan G F Dos Santos, Silmar A do Monte, et al.
The Journal of Physical Chemistry. A|July 8, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and DynamicsFelix Plasser, Hans Lischka, Ron Shepard, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Physical Chemistry Chemical Physics : PCCP|May 21, 2025
Charge transfer within excited states of boron/nitrogen doped polycyclic aromatic hydrocarbonsLuan G F Dos Santos, Julio C V Chagas, Reed Nieman, et al.
Journal of Chemical Information and Modeling|January 28, 2025
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data AugmentationLuan G F Dos Santos, Benjamin T Nebgen, Alice E A Allen, et al.
Journal of Computational Chemistry|January 20, 2025
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN DopingLuan G F Dos Santos, Julio C V Chagas, Luiz F A Ferrão, et al.
Physical Chemistry Chemical Physics : PCCP|April 1, 2025
Low-lying excited states of linear all-<i>trans</i> polyenes: the σ-π electron correlation and the description of ionic statesJulio C V Chagas, Luan G F Dos Santos, Reed Nieman, et al.
Journal of Chemical Theory and Computation|May 4, 2026
Low-Lying Excited States of Linear All-<i>Trans</i> Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration InteractionJulio C V Chagas, Luan G F Dos Santos, Silmar A do Monte, et al.
The Journal of Physical Chemistry. A|July 8, 2025
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and DynamicsFelix Plasser, Hans Lischka, Ron Shepard, et al.
Pageof 1