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1 . Report
Dielectric behavior of Water in [bmim] [Tf 2 N] room-temperature Ionic Liquid, molecular dynamic study
저자
by
Fuentes-Azcatl, Raúl
;
Araujo, Gabriel J. C.
;
Lourenço, Tuanan C.
;
Costa, Cauê T. O. G.
;
Carneiro, José Walkimar de M.
, et al.
소스
Open Access (Arxiv)
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7 . Academic Journal
Supramolecular dimers drive the reaction between CO2 and alkanolamines towards carbonate formation
저자
by
dos Santos, Thiago C.
;
Lage, Mateus R.
;
da Silva, Aline F.M.
;
Fernandes, Tamires S.
;
de M. Carneiro, José Walkimar
, et al.
소스
In
Journal of CO2 Utilization
July 2022 61
Full Text (ScienceDirect)
Web of Science
Scopus
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7 . Academic Journal
Synthesis, characterization, and thermal and computational investigations of the l-histidine bis(fluoride) crystal
저자
by
Reis, Ian Felipe Sousa
;
Viana, Jailton Romão
;
de Oliveira Neto, João Gomes
;
Stoyanov, Stanislav R.
;
de M. Carneiro, José Walkimar
, et al.
소스
Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods
. 28(8)
Web of Science
Scopus
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7 . Academic Journal
Theoretical study of keto-enol tautomerism in 7-epi-clusianone by quantum chemical calculations of NMR chemical shifts
저자
by
de Albuquerque, Ana Carolina F.
;
Corrêa, Guilherme S.
;
Albuquerque, Gustavo T.
;
Costa, Fabio Luiz P.
;
Costa, Luciano T.
, et al.
소스
Journal of Molecular Modeling: Computational Chemistry - Life Science - Advanced Materials - New Methods
. 28(8)
Web of Science
Scopus
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7 . Academic Journal
CO2 and H2 adsorption on 3D nitrogen-doped porous graphene: Experimental and theoretical studies
저자
by
dos Santos, Thiago C.
;
Mancera, Rafael C.
;
Rocha, Marcus V.J.
;
da Silva, Aline F.M.
;
Furtado, Isabelle O.
, et al.
소스
In
Journal of CO2 Utilization
June 2021 48
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7 . Academic Journal
Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds
저자
by
Maicon Delarmelina
;
José Walkimar de M. Carneiro
;
C. Richard A. Catlow
;
Michael Bühl
.
소스
Catalysis Communications, Vol 162, Iss , Pp 106385- (2022)
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Full Text (ScienceDirect O/A)
Open Access (DOAJ)
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6 . Academic Journal
The mechanism for H2S scavenging by 1,3,5-hexahydrotriazines explored by DFT
저자
by
Fiorot, Rodolfo G.
;
de M. Carneiro, José Walkimar
.
소스
In
Tetrahedron
17 April 2020 76(16)
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4 . Academic Journal
Study on the regioselectivity of the N-ethylation reaction of N-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
저자
by
Pedro N. Batalha
;
Luana da S. M. Forezi
;
Maria Clara R. Freitas
;
Nathalia M. de C. Tolentino
;
Ednilsom Orestes
, et al.
소스
Beilstein Journal of Organic Chemistry, Vol 15, Iss 1, Pp 388-400 (2019)
Open Access (DOAJ)
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7 .
Estudo do tautomerismo ceto-enólico da 7-epi-clusianona através
de
cálculos teóricos
de
deslocamentos químicos
de
RMN
저자
by
Ana Carolina Ferreira de Albuquerque
;
Fernando Martins dos Santos Junior
;
José Walkimar de M. Carneiro
.
소스
Anais do VIII Simpósio
de
Estrutura Eletrônica e Dinâmica Molecular
.
Open Access (OpenAIRE)
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5 .
ESPECTROSCOPIA COMPUTACIONAL APLICADA AO REASSINALAMENTO ESTRUTURAL
DE
MOLÉCULAS QUIRAIS: HELIANNUOL L
저자
by
Lucas H. Martorano
;
Jordana T. Brito
;
Alessandra L. Valverde
;
Rodolfo G. Fiorot
;
Ana Carolina Ferreira de Albuquerque
, et al.
소스
Anais do VIII Simpósio
de
Estrutura Eletrônica e Dinâmica Molecular
.
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