| 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 | 341 | 2008 |
| 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 | 166 | 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 | 140 | 1993 |
| 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 | 128* | 2012 |
| 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 | 106 | 2015 |
| 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 | 100 | 2006 |
| 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 | 100 | 2004 |
| 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 | 79 | 1992 |
| 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 | 69 | 2013 |
| 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 | 69 | 1996 |
| 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 | 68 | 1994 |
| 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 | 59 | 2021 |
| 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 | 57 | 2008 |
| 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 (1), 74-83, 2015 | 55 | 2015 |
| 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 | 54 | 1991 |
| 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 | 52 | 2014 |
| 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 | 50 | 2018 |
| 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 | 50 | 1989 |
| 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 | 47 | 2012 |
| 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 | 45 | 2012 |
Donato A. G. ArandaUniversidade Federal do Rio de JaneiroVerified email at eq.ufrj.br
