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F

Francisco B. C. Machado

Aeronautics Institute of Technology

28H指数
192论文数
3.1K被引数
收录论文 42
发表时间
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A Data-Efficient Machine-Learning Approach for Modeling the Photodynamics of All-trans Hexatriene based on Multireference Configuration Interaction Calculations基于多参考态组态相互作用计算的数据高效机器学习方法用于建模全反式己三烯的光动力学
errfaraday discuss.
IF0
err2026-05-19
err0
PREAI
errLuan Gabriel Fonseca dos Santos; Julio Cesar Chagas; Mikołaj Martyka; Pavlo O. Dral; Mario Barbatti; Francisco B.C. Machado; Richard Messerly; Hans Lischka
err分享
err收藏
Low-Lying Excited States of Linear All-Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction线性全反式聚烯烃的低 lying 激发态：基于多参考组态相互作用的分析梯度和非绝热耦合计算的见解
errJournal of Chemical Theory and Computation
IF5.5
err2026-05-04
err0
errOAAI
errJulio C. V. Chagas; Luan G. F. dos Santos; Silmar A. do Monte; Adélia J. A. Aquino; Felix Plasser; Ron Shepard; Péter G. Szalay; Hans Lischka; Francisco B. C. Machado
err分享
err收藏
Tuning Heptazine-Based g-C3N4 Structures for Photocatalysis by Enhancing Chemical Stability and Electron–Hole Pair Separation: A Computational Study
errACS Omega
IF4.3
err2026-01-21
err0
errOAAI
errLeticia C.S. Faria; Aditya N. Raju; Julio C.V. Chagas; Adelia J.A. Aquino; Reed Nieman; Francisco B.C. Machado; Leonardo T. Ueno; Hans Lischka; Luiz F. A. Ferrão
err分享
err收藏
Aromaticity Study of Linear and Belt-like Polycyclic Aromatic Hydrocarbons线性与带状多环芳香烃的芳香性研究
errCHEMISTRY-SWITZERLAND
IF2.4
err2025-11-07
err1
PREAI
errSalles, Guilherme A.; Magalhaes, Paulo R. C.; Carvalho, Jhonatas R.; Maximo-Canadas, Matheus; Rosa, Nathalia M. P.; Chagas, Julio C. V.; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Borges, Itamar; Machado, Francisco B. C.; Lischka, Hans
err分享
err收藏
Stability and Reactivity of TiO 2 n $$ {\left({\mathrm{TiO}}_2\right)}_n $$ , n = 1–10, Clusters and Their Interactions With CO 2 $$ {\mathrm{CO}}_2 $$TiO₂团簇的稳定性与反应性及其与CO₂的相互作用，其中n=1–10
errJournal of Computational Chemistry
IF4.8
err2025-09-20
err0
errOAAI
errLetícia Carolaine Silva Faria; Letícia Marques de Souza Vetrano de Queiroz; Murielly Fernanda Ribeiro Bihain; Douglas Henrique Pereira; Leonardo Tsuyoshi Ueno; Francisco Bolivar Correto Machado; Luiz Fernando de Araujo Ferrão
err分享
err收藏
COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin–Orbit Couplings and DynamicsCOLUMBUS─一个用于计算基态和激发态（包括自旋-轨道耦合和动力学）的高效通用程序包
errThe Journal of Physical Chemistry A
IF0
err2025-07-08
err0
errOAAI
errFelix Plasser; Hans Lischka; Ron Shepard; Péter G. Szalay; Russell M. Pitzer; Rodolpho L. R. Alves; Adelia J. A. Aquino; Jochen Autschbach; Mario Barbatti; Jhonatas R. Carvalho; Julio C. V. Chagas; Leticia González; Andreas Hansen; Bhumika Jayee; Miklos Kertesz; Francisco B. C. Machado; Spiridoula Matsika; Silmar A. do Monte; Saikat Mukherjee; Dana Nachtigallová; Reed Nieman; Vytor P. Oliveira; Markus Oppel; Carol A. Parish; Jiri Pittner; Luan G. F. dos Santos; Armin Scrinzi; Mahesh K. Sit; Rene F. K. Spada; Mushir Thodika; Daniel C. A. Valente; Álvaro Vázquez-Mayagoitia; Elizete Ventura; Julia Westermayr; Aleksandr Zaichenko; Zhiyong Zhang
err分享
err收藏
Tuning Aromaticity, Stability and Radicaloid Character of Periacenes by Chemical BN Doping
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-01-20
err0
PREAI
errdos Santos, Luan G. F.; Chagas, Julio C. V.; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Nieman, Reed; Lischka, Hans; Machado, Francisco B. C.
err分享
err收藏
Thermally Activated Delayed Fluorescence in B,N-Substituted Tetracene Derivatives: A Theoretical Pathway to Enhanced OLED Materials热活化延迟荧光在B,N-取代四氢萘衍生物中的表现：提升OLED材料性能的理论途径
errJOURNAL OF PHYSICAL CHEMISTRY A
IF2.8
err2025-01-06
err0
PREAI
errPimentel, J. V. M.; Chagas, J. C. V.; Pinheiro, M.; Aquino, A. J. A.; Lischka, H.; Machado, F. B. C.
err分享
err收藏
Segregation of Batteries from Pyrolyzed Entire Smartphones by Means of Density Separation
errWASTE AND BIOMASS VALORIZATION
IF2.8
err2024-04-23
err0
PREAI
errCenci, M. P.; Machado, F.; Hansen, J. L.; Camargo, P. S. S.; Friedrich, B.; Veit, H. M.
err分享
err收藏
A multi-descriptor analysis of substituent effects on the structure and aromaticity of benzene derivatives: π-Conjugation versus charge effects
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-12-28
err2
PREAI
errChagas, Julio C. V.; Milanez, Bruno D.; Oliveira, Vytor P.; Pinheiro Jr, Max; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Lischka, Hans; Machado, Franciso B. C.
err分享
err收藏
Structural stability and the low-lying singlet and triplet states of BN-n-acenes, n=1-7
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-11-14
err1
errOAAI
errMilanez, Bruno D.; dos Santos, Gustavo M.; Pinheiro, Max, Jr.; Ueno, Leonardo T.; Ferrao, Luiz F. A.; Aquino, Adelia J. A.; Lischka, Hans; Machado, Francisco B. C.
err分享
err收藏
The relativistic effects on the methane activation by gold(I) cations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-06-29
err1
PREAI
errSantiago, Regis T.; Vichietti, Rafael M.; Machado, Francisco B. C.; Haiduke, Roberto L. A.
err分享
err收藏
Accurate Rate Constants for the Forward and Reverse H plus CO ⇆ HCO Reactions at the High-Pressure Limit
errACS OMEGA
IF4.3
err2020-09-11
err3
errOAAI
errVichietti, Rafael M.; Machado, Francisco B. C.; Haiduke, Roberto L. A.
err分享
err收藏
Methanol and glycolaldehyde production from formaldehyde in massive star-forming regions
errMONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
IF4.8
err2020-08-06
err6
PREAI
errSilva, Silvia G. S.; Vichietti, Rafael M.; Haiduke, Roberto L. A.; Machado, Francisco B. C.; Spada, Rene F. K.
err分享
err收藏
Multireference study of ionic/covalent electronic states of MF (M = Be, Mg and Ca)
errSPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
IF4.6
err2020-06-01
err5
PREAI
errFernandes, Gabriel F. S.; Pontes, Marcelo A. P.; Faria, Ulisses J., Jr.; Machado, Francisco B. C.; Ferrao, Luiz F. A.
err分享
err收藏
Soot precursors in farnesane and n-dodecane decomposition: A computational approach
errFUEL
IF7.5
err2020-05-01
err5
errOAAI
errPetry Pontes, Marcelo Andre; Correto Machado, Francisco Bolivar; Roberto-Neto, Orlando; de Araujo Ferrao, Luiz Fernando
err分享
err收藏
The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-04-06
err62
errOAAI
errLischka, Hans; Shepard, Ron; Mueller, Thomas; Szalay, Peter G.; Pitzer, Russell M.; Aquino, Adelia J. A.; Araujo do Nascimento, Mayzza M.; Barbatti, Mario; Belcher, Lachlan T.; Blaudeau, Jean-Philippe; Borges, Itamer; Brozell, Scott R.; Carter, Emily A.; Das, Anita; Gidofalvi, Gergely; Gonzalez, Leticia; Hase, William L.; Kedziora, Gary; Kertesz, Miklos; Kossoski, Fabris; Machado, Francisco B. C.; Matsika, Spiridoula; do Monte, Silmar A.; Nachtigallova, Dana; Nieman, Reed; Oppel, Markus; Parish, Carol A.; Plasser, Felix; Spada, Rene F. K.; Stahlberg, Eric A.; Ventura, Elizete; Yarkony, David R.; Zhang, Zhiyong
err分享
err收藏
A systematic analysis of excitonic properties to seek optimal singlet fission: the BN-substitution patterns in tetracene
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2020-01-01
err28
errOAAI
errPinheiro, Max, Jr.; Machado, Francisco B. C.; Plasser, Felix; Aquino, Adelia J. A.; Lischka, Hans
err分享
err收藏
Metal-Halogen Bonding Seen through the Eyes of Vibrational Spectroscopy
errMATERIALS
IF3.2
err2019-12-20
err26
errOAAI
errOliveira, Vytor P.; Marcial, Bruna L.; Machado, Francisco B. C.; Kraka, Elfi
err分享
err收藏
Could HCN Be Responsible for the Formamide Synthesis in Earth?s Primitive Atmosphere?
errASTROPHYSICAL JOURNAL SUPPLEMENT SERIES
IF8.5
err2019-11-11
err4
errOAAI
errVichietti, R. M.; Spada, R. F. K.; da Silva, A. B. F.; Machado, F. B. C.; Haiduke, R. L. A.
err分享
err收藏

研究方向

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