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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 3, 2018
Tuning the Biradicaloid Nature of Polycyclic Aromatic Hydrocarbons: The Effect of Graphitic Nitrogen Doping in Zethrenes
Anita Das, Max Pinheiro, Francisco B C Machado, et al.
The Journal of Physical Chemistry. A
|
December 6, 2018
Stability and Reactivity of Silicon Magic Numbers Doped with Aluminum and Phosphorus Atoms
Gabriel F S Fernandes, Max Pinheiro Júnior, Francisco B C Machado, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 6, 2022
Modeling the heating and cooling of a chromophore after photoexcitation
Elizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Journal of Chemical Theory and Computation
|
November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics
Matheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2022
Correction: Modeling the heating and cooling of a chromophore after photoexcitation
Elizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Topics in Current Chemistry (Cham)
|
June 8, 2021
MLatom 2: An Integrative Platform for Atomistic Machine Learning
Pavlo O Dral, Fuchun Ge, Bao-Xin Xue, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 14, 2017
How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen
Max Pinheiro, Luiz F A Ferrão, Fernanda Bettanin, et al.
Journal of Chemical Theory and Computation
|
July 19, 2017
Singlet L<sub>a</sub> and L<sub>b</sub> Bands for N-Acenes (N = 2-7): A CASSCF/CASPT2 Study
Fernanda Bettanin, Luiz F A Ferrão, Max Pinheiro, et al.
Chemical Science
|
September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
Carolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
Digital Discovery
|
January 31, 2025
ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning
Max Pinheiro, Matheus de Oliveira Bispo, Rafael S Mattos, et al.
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of 3
Search research articles
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Showing results (11-20 of 25) with videos related to
Sort By:
Page
of 3
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 3, 2018
Tuning the Biradicaloid Nature of Polycyclic Aromatic Hydrocarbons: The Effect of Graphitic Nitrogen Doping in Zethrenes
Anita Das, Max Pinheiro, Francisco B C Machado, et al.
The Journal of Physical Chemistry. A
|
December 6, 2018
Stability and Reactivity of Silicon Magic Numbers Doped with Aluminum and Phosphorus Atoms
Gabriel F S Fernandes, Max Pinheiro Júnior, Francisco B C Machado, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 6, 2022
Modeling the heating and cooling of a chromophore after photoexcitation
Elizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Journal of Chemical Theory and Computation
|
November 11, 2025
MELTS: Fully Automated Active Learning for Fewest-Switches Surface Hopping Dynamics
Matheus de Oliveira Bispo, Rafael Souza Mattos, Max Pinheiro, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 15, 2022
Correction: Modeling the heating and cooling of a chromophore after photoexcitation
Elizete Ventura, Silmar Andrade do Monte, Mariana T do Casal, et al.
Topics in Current Chemistry (Cham)
|
June 8, 2021
MLatom 2: An Integrative Platform for Atomistic Machine Learning
Pavlo O Dral, Fuchun Ge, Bao-Xin Xue, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 14, 2017
How to efficiently tune the biradicaloid nature of acenes by chemical doping with boron and nitrogen
Max Pinheiro, Luiz F A Ferrão, Fernanda Bettanin, et al.
Journal of Chemical Theory and Computation
|
July 19, 2017
Singlet L<sub>a</sub> and L<sub>b</sub> Bands for N-Acenes (N = 2-7): A CASSCF/CASPT2 Study
Fernanda Bettanin, Luiz F A Ferrão, Max Pinheiro, et al.
Chemical Science
|
September 17, 2025
Machine learning for nonadiabatic molecular dynamics: best practices and recent progress
Carolin Müller, Štěpán Sršeň, Brigitta Bachmair, et al.
Digital Discovery
|
January 31, 2025
ULaMDyn: enhancing excited-state dynamics analysis through streamlined unsupervised learning
Max Pinheiro, Matheus de Oliveira Bispo, Rafael S Mattos, et al.
Page
of 3