Firme, Caio Lima
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D2BIA—flexible, not (explicitly) arbitrary and reference/st..:

Firme, Caio Lima ; Araújo, Diógenes Mendes
FIRME, Caio Lima; ARAÚJO, Diógenes Mendes. D2BIA—flexible, not (explicitly) arbitrary and reference/structurally invariant—a very effective and improved version of the D3BIA aromaticity index. Journal of Molecular Modeling, [S.l.], v.23, n. 9, p. 1-9, ago. 2017. Disponível em: https://link.springer.com/article/10.1007/s00894-017-3433-6. Acesso em: 18 jun. 2020..  , 2017
 
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Validation of the recently developed aromaticity index D3BI..:

Araújo, Diógenes Mendes ; Costa, Tamires Ferreira da ; Firme, Caio Lima
ARAÚJO, Diógenes Mendes; COSTA, Tamires Ferreira da; FIRME, Caio Lima. Validation of the recently developed aromaticity index D3BIA for benzenoid systems. Case study: acenes. Journal of molecular modeling, [S.l.], v. 21, n. 9, p. 01-10, set. 2015. Disponível em: https://link.springer.com/article/10.1007/s00894-015-2791-1. Acesso em: 08 jun. 2020..  , 2015
 
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Experimental and NMR theoretical methodology applied to geo..:

Soares, Breno Almeida ; Firme, Caio Lima ; Maciel, Maria Aparecida Medeiros...
SOARES, Breno Almeida; FIRME, Caio Lima; MACIEL, Maria Aparecida Medeiros; KAISER, Carlos Roland; SCHILLING, Eduardo; BORTOLUZZI, Adailton João. Experimental and NMR theoretical methodology applied to geometric analysis of the bioactive clerodane trans-dehydrocrotonin. Journal Of The Brazilian Chemical Society, [S.l.], v. 25, n. 4, p. 629-638, abr. 2014. Disponível em: https://www.scielo.br/scielo.php?pid=S0103-50532014000400003&script=sci_arttext. Acesso em: 27 maio 2020. https://doi.org/10.5935/0103-5053.20140010.  , 2014
 
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Propriedades relacionadas à acidez e basicidade a partir da..:

Silva, Sérgio Ruschi Bergamachi ; Firme, Caio Lima ; Lima, Kássio Michell Gomes de
SILVA, Sérgio Ruschi Bergamachi; FIRME, Caio Lima; LIMA, Kássio Michell Gomes de. Propriedades relacionadas à acidez e basicidade a partir da abordagem em química computacional. Química Nova, [S.l.], v. 37, n. 4, p. 658-662, 2014. Disponível em: https://www.scielo.br/scielo.php?pid=S0100-40422014000400014&script=sci_abstract. Acesso em: 27 maio 2020. http://dx.doi.org/10.5935/0100-4042.20140108.  , 2014
 
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Relation between topology and stability of bent titanocenes:

Santos, Hugo Felix Lima dos ; Pontes, Daniel de Lima ; Firme, Caio Lima
SANTOS, Hugo Felix Lima dos; PONTES, Daniel de Lima; FIRME, Caio Lima. Relation between topology and stability of bent titanocenes. Journal Of Molecular Modeling, [s. l.], v. 19, n. 8, p. 2955-2964, 2013. ISSN 0948-5023 versão online. DOI https://doi.org/10.1007/s00894-013-1817-9. Disponível em: https://link.springer.com/article/10.1007%2Fs00894-013-1817-9. Acesso em: 09 jun. 2020..  , 2013
 
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New insights into the stability of alkenes and alkynes, flu..:

Freitas, Gutto Raffyson Silva de ; Firme, Caio Lima
FREITAS, Gutto Raffyson Silva de; FIRME, Caio Lima. New insights into the stability of alkenes and alkynes, fluoro-substituted or not: a DFT, G4, QTAIM and GVB study. Journal Of Molecular Modeling, [s. l.], v. 19, n. 12, p. 5267-5276, 17 out. 2013. ISSN 0948-5023 versão online. DOI https://doi.org/10.1007/s00894-013-2022-6. Disponível em: https://link.springer.com/article/10.1007/s00894-013-2022-6. Acesso em: 09 jun. 2020..  , 2013
 
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Electronic structures of bisnoradamantenyl and bisnoradaman..:

Firme, Caio Lima ; Costa, Tamires Ferreira da ; Penha, Eduardo Tanoue da.
FIRME, Caio Lima; COSTA, Tamires Ferreira da; PENHA, Eduardo Tanoue da; ESTEVES, Pierre Mothé. Electronic structures of bisnoradamantenyl and bisnoradamantanyl dications and related species. Journal Of Molecular Modeling, [s. l.], v. 19, n. 6, p. 2485-2497, 2013. ISSN 0948-5023 versão online. DOI https://doi.org/10.1007/s00894-013-1785-0. Disponível em: https://link.springer.com/article/10.1007/s00894-013-1785-0. Acesso em: 09 jun. 2020..  , 2013
 
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