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José Walkimar de M. Carneiro
José Walkimar de M. Carneiro
Verified email at id.uff.br - Homepage
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Cited by
Year
Transesterification of Jatropha curcas oil glycerides: theoretical and experimental studies of biodiesel reaction
NCO Tapanes, DAG Aranda, JW de Mesquita Carneiro, OAC Antunes
Fuel 87 (10-11), 2286-2295, 2008
3312008
Unified mechanistic concept of electrophilic aromatic nitration: convergence of computational results and experimental data
PM Esteves, JW de M. Carneiro, SP Cardoso, AGH Barbosa, KK Laali, ...
Journal of the American Chemical Society 125 (16), 4836-4849, 2003
163*2003
The tert-butyl cation (C4H9+) potential energy surface
S Sieber, P Buzek, PR Schleyer, W Koch, JWM Carneiro
Journal of the American Chemical Society 115 (1), 259-270, 1993
1371993
Density functional theory investigation of the contributions of π–π stacking and hydrogen-bonding interactions to the aggregation of model asphaltene compounds
LM da Costa, SR Stoyanov, S Gusarov, X Tan, MR Gray, JM Stryker, ...
Energy & Fuels 26 (5), 2727-2735, 2012
127*2012
Quantitative structure–activity relationship in aziridinyl-1, 4-naphthoquinone antimalarials: study of theoretical correlations by the PM3 method
EVM dos Santos, JWM Carneiro, VF Ferreira
Bioorganic & medicinal chemistry 12 (1), 87-93, 2004
1022004
Adsorption of CO 2 on amine-functionalised MCM-41: experimental and theoretical studies
TC dos Santos, S Bourrelly, PL Llewellyn, JWM Carneiro, CM Ronconi
Physical Chemistry Chemical Physics 17 (16), 11095-11102, 2015
1012015
Electrophilic aromatic nitration: understanding its mechanism and substituent effects
JF Queiroz, JWM Carneiro, AA Sabino, R Sparrapan, MN Eberlin, ...
The Journal of organic chemistry 71 (16), 6192-6203, 2006
982006
Does CH prefer a C2v rather than a Cs structure?
P Von Ragué Schleyer, JW De M. Carneiro
Journal of computational chemistry 13 (8), 997-1003, 1992
771992
Axial and Equatorial 1-Methyl-1-cyclohexyl Cation Isomers Both Have Chair Conformations but Differ in C− C and C− H Hyperconjugation Modes
A Rauk, TS Sorensen, C Maerker, JWM Carneiro, S Sieber, PR Schleyer
Journal of the American Chemical Society 118 (15), 3761-3762, 1996
691996
Exploring the DNA binding/cleavage, cellular accumulation and topoisomerase inhibition of 2-hydroxy-3-(aminomethyl)-1, 4-naphthoquinone Mannich bases and their platinum (II …
AP Neves, MXG Pereira, EJ Peterson, R Kipping, MD Vargas, FP Silva-Jr, ...
Journal of inorganic biochemistry 119, 54-64, 2013
672013
Protonated ethane. A theoretical investigation of C2H7+ structures and energies
JWM Carneiro, PR Schleyer, M Saunders, R Remington, HF Schaefer III, ...
Journal of the American Chemical Society 116 (8), 3483-3493, 1994
671994
Synthesis of photosynthesis-inhibiting nostoclide analogues
RR Teixeira, LCA Barbosa, G Forlani, D Piló-Veloso, ...
Journal of agricultural and food chemistry 56 (7), 2321-2329, 2008
562008
Structural characterisation of natural products by means of quantum chemical calculations of NMR parameters: new insights
FLP Costa, ACF de Albuquerque, RG Fiorot, LM Lião, LH Martorano, ...
Organic Chemistry Frontiers 8 (9), 2019-2058, 2021
542021
A new, simple and efficient method of Steglich esterification of juglone with long-chain fatty acids: synthesis of a new class of non-polymeric wax deposition inhibitors for …
V Gilles, MA Vieira, V Lacerda Jr, EVR Castro, RB Santos, E Orestes, ...
Journal of the Brazilian Chemical Society 26, 74-83, 2015
542015
Distortion toward bridging accompanying hyperconjugation in a simple tertiary alkyl carbocation
PR Schleyer, JWM Carneiro, W Koch, DA Forsyth
Journal of the American Chemical Society 113 (10), 3990-3992, 1991
531991
Computational study of the effect of dispersion interactions on the thermochemistry of aggregation of fused polycyclic aromatic hydrocarbons as model asphaltene compounds in …
L Moreira da Costa, SR Stoyanov, S Gusarov, PR Seidl, ...
The Journal of Physical Chemistry A 118 (5), 896-908, 2014
502014
Hyperconjugative distortions and the cyclopentyl cation structure
PR Schleyer, JWM Carneiro, W Koch, K Raghavachari
Journal of the American Chemical Society 111 (14), 5475-5477, 1989
461989
Synthesis of rubrolide analogues as new inhibitors of the photosynthetic electron transport chain
LCA Barbosa, CRA Maltha, MR Lage, RC Barcelos, A Dona, ...
Journal of agricultural and food chemistry 60 (42), 10555-10563, 2012
452012
3D-RISM-KH molecular theory of solvation and density functional theory investigation of the role of water in the aggregation of model asphaltenes
LM da Costa, S Hayaki, SR Stoyanov, S Gusarov, X Tan, MR Gray, ...
Physical Chemistry Chemical Physics 14 (11), 3922-3934, 2012
452012
Semisynthetic phenol derivatives obtained from natural phenols: antimicrobial activity and molecular properties
PF Pinheiro, LAP Menini, PC Bernardes, SH Saraiva, JWM Carneiro, ...
Journal of agricultural and food chemistry 66 (1), 323-330, 2018
442018
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