Sergio Faria
Sergio Faria
Verified email at docente.unip.br
Title
Cited by
Cited by
Year
How accessible is atomic charge information from infrared intensities? A QTAIM/CCFDF interpretation
AF Silva, WE Richter, HGC Meneses, SHDM Faria, RE Bruns
The Journal of Physical Chemistry A 116 (31), 8238-8249, 2012
352012
Quantum Theory of Atoms in Molecules Charge−Charge Flux−Dipole Flux Models for the Infrared Intensities of X2CY (X = H, F, Cl; Y = O, S) Molecules
SHDM Faria, JV da Silva, RLA Haiduke, LN Vidal, PAM Vazquez, ...
The Journal of Physical Chemistry A 111 (32), 7870-7875, 2007
252007
A charge–charge flux–dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB3 (A= N, P; B= H, F) molecules
PH César, SHDM Faria, JV da Silva Jr, RLA Haiduke, RE Bruns
Chemical physics 317 (1), 35-42, 2005
192005
QTAIM Charge− Charge Flux− Dipole Flux Models for the Infrared Fundamental Intensities of Difluoro-and Dichloroethylenes
J Viçozo da Silva, SHDM Faria, RLA Haiduke, RE Bruns
The Journal of Physical Chemistry A 111 (3), 515-520, 2007
182007
Study on molecular structure, spectroscopic properties (FTIR and UV–Vis), NBO, QTAIM, HOMO-LUMO energies and docking studies of 5-fluorouracil, a substance used to treat cancer
MO Almeida, DAS Barros, SC Araujo, SHDM Faria, VG Maltarollo, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 184, 169-176, 2017
152017
Computational study of the alkylation reaction of the nitrogen mustard mechlorethamine using NBO model and the QTAIM theory
MO Almeida, SHDM Faria
Open Journal of Physical Chemistry 3 (04), 127, 2013
82013
Basis set selection for the calculation of the IR fundamental intensities for 1, 1-C2H2F2 and F2CO
AF Silva, DX Soares, SHDM Faria, RE Bruns
Journal of Molecular Structure 1009, 49-54, 2012
32012
Computational investigation of the carmustine (BCNU) alkylation mechanism using the QTAIM, IQA, and NBO models
SHDM Faria, JG Teleschi, L Teodoro, MO Almeida
Structural Chemistry, 2020
22020
Computational search for drug repurposing to identify potential inhibitors against SARS-COV-2 using Molecular Docking, QTAIM and IQA methods in viral Spike protein–Human ACE2 …
SHDM Faria, JG Teleschi
Journal of molecular structure 1232, 130076, 2021
12021
O uso de Bisfenol A em embalagens alimentícias e sua relação com o câncer de mama: uma revisão sistemática
LR Zandoná, SHDM Faria, CRÁ de Oliveira, JR Guerreiro
J. Health Sci. Inst 36 (3), 216-223, 2018
12018
Utilização do modelo CCFDF na interpretação das intensidades fundamentais das moleculas' X IND. 2 CY'e sua aplicação na regra da soma
SHDM Faria
Universidade Estadual de Campinas (UNICAMP). Instituto de Química, 2008
12008
Characteristic Substitution Shift Model (CSSM) in the CCFDF (Charge-Charge Flux-Dipole Flux) model for the dipole moment derivatives of molecules X2CY (X= F, cl; Y= O, S)
SHDM Faria
Chemical Physics 536, 110830, 2020
2020
An electronic point of view on the inhibition of ALK-5 by bioactive candidates related to cancer
MO Almeida, SHDM Faria, KM Honorio
Theoretical Chemistry Accounts 139 (5), 1-16, 2020
2020
Investigações QTAIM de propriedades espectroscópicas e reatividades químicas
SHDM Faria
[sn], 2019
2019
Estudo de Acoplamento Molecular e NBO das Interações entre a Molécula 5-FU e o Alvo Biológico HER-2
MO Almeida, DAS Barros, SC Araújo, SHDM Faria, KM Honório
Revista Processos Químicos 9 (18), 170-172, 2015
2015
Basis set selection for the calculation of the IR fundamental intensities for 1, 1-C₂H₂F₂ and F₂CO
AF Silva, DX Soares, SHDM Faria, RE Bruns
Journal of molecular structure, 2012
2012
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Articles 1–16