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