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1 . Academic Journal
Analyzing the n®p* electronic transition of formaldehyde in water: a sequential Monte Carlo/time-dependent density functional theory
저자
by
Malaspina, Thaciana
;
Coutinho, Kaline
;
Canuto, Sylvio
.
소스
Journal of the Brazilian Chemical Society
. January 2008 19(2)
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5 . Academic Journal
Isotropic and anisotropic NMR chemical shifts in liquid water: a sequential QM/MM study
저자
by
Fileti, Eudes E.
;
Georg, Herbert C.
;
Coutinho, Kaline
;
Canuto, Sylvio
.
소스
Journal of the Brazilian Chemical Society
. January 2007 18(1)
Open Access (SciELO)
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6 . Academic Journal
Conformational stability of furfural in aqueous solution: the role of hydrogen bonding
저자
by
Rivelino, Roberto
;
Canuto, Sylvio
;
Coutinho, Kaline
.
소스
Brazilian Journal of Physics
. March 2004 34(1)
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5 . Academic Journal
A quantum chemical investigation of the interaction of perfluoropropionic acid with monoethanolamine and sulfuric acid in the atmosphere
저자
by
Medeiros, Flávio Soares
;
Oliveira, Kelson M.T.
;
Canuto, Sylvio
;
Chaudhuri, Puspitapallab
.
소스
In
Computational and Theoretical Chemistry
March 2024 1233
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6 . Academic Journal
Modulation of the NLO properties of p-coumaric acid by the solvent effects and proton dissociation
저자
by
Damasceno, Marcus V.A.
;
Cunha, Antônio R.
;
Provasi, Patricio F.
;
Pagola, Gabriel I.
;
Siqueira, Marcelo
, et al.
소스
In
Journal of Molecular Liquids
15 January 2024 394
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7 . Academic Journal
Assessing the dipolar-octupolar NLO behavior of substituted thiosemicarbazone assemblies
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by
Gester, Rodrigo
;
Siqueira, Marcelo
;
Cunha, Antonio R.
;
Araújo, Raiane S.
;
Provasi, Patricio F.
, et al.
소스
In
Chemical Physics Letters
16 November 2023 831
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7 . Academic Journal
Theoretical study of the absorption and emission spectra of 1,2-Bis(9-anthryl)acetylene in cyclohexane and acetonitrile
저자
by
Manzoni, Vinícius
;
Orozco-Gonzalez, Yoelvis
;
Peon, Jorge
;
Canuto, Sylvio
.
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Chemical Physics Letters
November 2023 830
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6 . Academic Journal
A QM/MM study of the conformation stability and electronic structure of the photochromic switches derivatives of DHA/VHF in acetonitrile solution
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by
Cardenuto, Marcelo Hidalgo
;
Cezar, Henrique M.
;
Mikkelsen, Kurt V.
;
Sauer, Stephan P.A.
;
Coutinho, Kaline
, et al.
소스
In
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
15 April 2021 251
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7 . Academic Journal
A theoretical study of the magnetic shielding of 15N of formamide in liquid water
저자
by
Gester, Rodrigo
;
Damasceno, Marcus V.A.
;
Canuto, Sylvio
;
Manzoni, Vinícius
.
소스
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Journal of Molecular Liquids
15 December 2020 320 Part A
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6 . Academic Journal
Free energy gradient for understanding the stability and properties of neutral and charged L-alanine molecule in water
저자
by
Ludwig, Valdemir
;
da Costa Ludwig, Zélia M.
;
Valverde, Danillo
;
Georg, Herbert C.
;
Canuto, Sylvio
.
소스
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Journal of Molecular Liquids
1 December 2020 319
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