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Journal of Computational Chemistry
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November 14, 2022
Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n = 1-7
Bruno D Milanez, Gustavo M Dos Santos, Max Pinheiro, et al.
Journal of Computational Chemistry
|
December 28, 2023
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects
Julio C V Chagas, Bruno D Milanez, Vytor P Oliveira, et al.
Journal of Chemical Theory and Computation
|
October 4, 2022
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles
Mario Barbatti, Mattia Bondanza, Rachel Crespo-Otero, et al.
Journal of Chemical Theory and Computation
|
January 25, 2024
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2026
The Newton-X platform for mixed quantum-classical dynamics
Mario Barbatti, Rafael S Mattos, Baptiste Demoulin, et al.
Page
of 3
Search research articles
Search
Showing results (21-30 of 25) with videos related to
Sort By:
Page
of 3
You have reached the last page of results.
This site can display upto 25 results.
Journal of Computational Chemistry
|
November 14, 2022
Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n = 1-7
Bruno D Milanez, Gustavo M Dos Santos, Max Pinheiro, et al.
Journal of Computational Chemistry
|
December 28, 2023
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects
Julio C V Chagas, Bruno D Milanez, Vytor P Oliveira, et al.
Journal of Chemical Theory and Computation
|
October 4, 2022
Newton-X Platform: New Software Developments for Surface Hopping and Nuclear Ensembles
Mario Barbatti, Mattia Bondanza, Rachel Crespo-Otero, et al.
Journal of Chemical Theory and Computation
|
January 25, 2024
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows
Pavlo O Dral, Fuchun Ge, Yi-Fan Hou, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 16, 2026
The Newton-X platform for mixed quantum-classical dynamics
Mario Barbatti, Rafael S Mattos, Baptiste Demoulin, et al.
Page
of 3