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Apresentação |
Código |
Nome Completo |
#ResumoID |
Titulo |
OP01 |
1119823 |
Víctor de Souza Assumção Bonfim |
32016 |
Assessing the impact of vibrational modes on the static polarizability of small molecules. |
OP02 |
1240595 |
Evangelos Miliordos |
31469 |
Theoretical prediction of a novel class of electrides for applications in redox catalysis and quantum computing |
OP03 |
1016923 |
Flávio Olimpio Sanches Neto |
31939 |
Aprendizado de máquina concilia curvatura no gráfico de Arrhenius com estrutura molecular de compostos orgânicos voláteis |
OP04 |
1117585 |
Julio Cesar Verli Chagas |
31832 |
Low-lying Excited States of Polyenes: The Contribution of ?-? Electron Correlation to the Description of Ionic States |
OP05 |
1117594 |
Vanessa Regina Miranda |
31974 |
TDDFT Study of R- and S-Warfarin Enantiomers Complexed with Human Serum Albumin |
OP06 |
1117743 |
Letícia de Almeida Nascimento |
31543 |
Desenvolvimento de novas moléculas com potencial atividade neuroprotetora: rede neural recorrente |
OP07 |
1118247 |
Murielly Fernanda Ribeiro Bihain |
30987 |
Evidências teóricas e experimentais para a formação do radical ânion carbonato (CO3-•) na atmosfera |
OP08 |
1222290 |
Rodrigo do Monte Gester |
31003 |
Theoretical and experimental study of a new antioxidant xanthone: the role of the solvent and intramolecular hydrogen bond effects |
OP09 |
1228485 |
Asdrubal Lozada Blanco |
30615 |
Electric Field Effects on Torsional Stiffness of Opened-Spiropyran Derivatives |
OP10 |
1238666 |
Fabiani Fernanda Triches |
30656 |
Analytical replicates to estimated affinity in molecular docking |
OP11 |
1239393 |
Alexandre Cavalheiro Dias |
31505 |
Can 2D Carbon Allotropes Be Used as Photovoltaic Absorbers in Solar Harvesting Devices? |
OP12 |
1241693 |
Marina Heloysa Sanino da Silva |
31550 |
Topological phases in one-dimensional superfluid Hubbard chains probed by entanglement measures |
OP13 |
1241730 |
Letícia Carolaine Silva Faria |
31534 |
Structural and Photocatalytic Characterization of g-C3N4 Conformers. |
OP14 |
1241770 |
Daniella Cintra Hilário de Paula |
31914 |
Revealing NDMA Formation: Mechanism, Kinetics and Regulatory Implications behind Theoretical Chemistry |
OP15 |
1242482 |
Yolanda Maria Barros Marcello |
31734 |
Unveiling the effect of phosphorylation and pH conditions on the conformational dynamics TMEM176B with an approach based on hybrid methods |