| 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 | 45 | 2012 |
| 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 | 26 | 2007 |
| 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 | 23 | 2017 |
| 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 | 23 | 2005 |
| 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 | 19 | 2007 |
| 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 | 7 | 2021 |
| 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 | 6 | 2013 |
| The Natural Charge–Natural Charge Flux–Overlap model: a modification of the charge-charge flux-overlap model through NPA charges SHDM Faria Molecular Physics 120 (4), e1999517, 2022 | 3 | 2022 |
| 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 | 3 | 2020 |
| 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 | 3 | 2012 |
| 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 | 2 | 2020 |
| 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 | 1 | 2018 |
| Utilização do modelo CCFDF na interpretação das intensidades fundamentais das moléculas X2CY e sua aplicação na regra da soma. S Faria, RE Bruns Master's dissertation, University of Campinas, 2008 | 1 | 2008 |
| 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, 1-16, 2020 | | 2020 |
| 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 1009, 2012 | | 2012 |
| Decomposição das derivadas do momento dedipolo para determinação da importância do par desemparelhado nas intensidades do infravermelho da molécula de amônia SHDM Faria, PH César, RE Bruns Livro de Resumos, 2005 | | 2005 |
Michell de Oliveira AlmeidaPós-Doutorando em química (USP/Universitat de Barcelona)E-mail confirmado em usp.br
