The hydrogen bond strength: New proposals to evaluate the intermolecular interaction using DFT calculations and the AIM theory BG Oliveira, FS Pereira, R de Araújo, MN Ramos Chemical physics letters 427 (1-3), 181-184, 2006 | 120 | 2006 |
Design, synthesis and cruzain docking of 3-(4-substituted-aryl)-1, 2, 4-oxadiazole-N-acylhydrazones as anti-Trypanosoma cruzi agents JM dos Santos Filho, ACL Leite, BG de Oliveira, DRM Moreira, MS Lima, ... Bioorganic & medicinal chemistry 17 (18), 6682-6691, 2009 | 118 | 2009 |
Structure, energy, vibrational spectrum, and Bader's analysis of π⋯ H hydrogen bonds and H− δ⋯ H+ δ dihydrogen bonds BG de Oliveira Physical Chemistry Chemical Physics 15 (1), 37-79, 2013 | 90 | 2013 |
The use of solid dispersion systems in hydrophilic carriers to increase benznidazole solubility ÁAN Lima, JL Soares‐Sobrinho, JL Silva, RAC Corrêa‐Júnior, MAM Lyra, ... Journal of pharmaceutical sciences 100 (6), 2443-2451, 2011 | 78 | 2011 |
Hydrogen bonds in alcohols: water complexes: A theoretical study about new intramolecular interactions via CHELPG and AIM calculations BG Oliveira, M Vasconcellos Journal of Molecular Structure: THEOCHEM 774 (1-3), 83-88, 2006 | 71 | 2006 |
A topologia molecular QTAIM e a descrição mecânico-quântica de ligações de hidrogênio e ligações de di-hidrogênio BG Oliveira, RCMU Araújo, MN Ramos Química Nova 33, 1155-1162, 2010 | 62 | 2010 |
The molecular properties of heterocyclic and homocyclic hydrogen-bonded complexes evaluated by DFT calculations and AIM densities BG Oliveira, RCMU Araújo, AB Carvalho, MN Ramos Journal of molecular modeling 15, 123-131, 2009 | 55 | 2009 |
A theoretical study of red-shifting and blue-shifting hydrogen bonds occurring between imidazolidine derivatives and PEG/PVP polymers BG Oliveira, MCA Lima, IR Pitta, SL Galdino, MZ Hernandes Journal of molecular modeling 16, 119-127, 2010 | 51 | 2010 |
Relação entre transferência de carga e as interações intermoleculares em complexos de hidrogênio heterocíclicos BG Oliveira, RCMU de Araújo Química Nova 30, 791-796, 2007 | 51 | 2007 |
Multiple proton donors on BeH2···2HCl trimolecular dihydrogen-bonded complex: some theoretical insights BG Oliveira, RCMU Araújo, MN Ramos Structural Chemistry 19, 665-670, 2008 | 49 | 2008 |
A theoretical study of molecular properties of C2H4··· 2HF, C2H2··· 2HF AND C3H6··· 2HF trimolecular hydrogen-bonded complexes BG Oliveira, RCMU Araújo, FS Pereira, EF Lima, WLV Silva, AB Carvalho, ... Química Nova 31, 1673-1679, 2008 | 49 | 2008 |
A theoretical study of blue-shifting hydrogen bonds in π weakly bound complexes BG Oliveira, R de Araujo, MN Ramos Journal of Molecular Structure: THEOCHEM 908 (1-3), 79-83, 2009 | 48 | 2009 |
The hydrogen bond in the acetylene-2 (HF) complex: A theoretical study about intramolecular and unusual π⋯ H interactions using DFT and AIM calculations BG Oliveira, R Araújo, AB Carvalho, EF Lima, WLV Silva, MN Ramos, ... Journal of Molecular Structure: THEOCHEM 775 (1-3), 39-45, 2006 | 48 | 2006 |
Living Amazon Report 2016: A regional approach to conservation in the Amazon S Charity, N Dudley, D Oliveira, S Stolton WWF Living Amazon Initiative, Brasilia and Quito, 113, 2016 | 46 | 2016 |
Interplay between dihydrogen and alkali–halogen bonds: Is there some covalency upon complexation of ternary systems? BG Oliveira Computational and Theoretical Chemistry 998, 173-182, 2012 | 46 | 2012 |
Machine learning risk prediction of mortality for patients undergoing surgery with perioperative SARS-CoV-2: the COVIDSurg mortality score British journal of surgery 108 (11), 1274-1292, 2021 | 45 | 2021 |
Antimycobacterial activity of some Brazilian indigenous medicinal drinks DG Oliveira, KA Prince, CT Higuchi, ACB Santos, LMX Lopes, ... Revista de ciências farmacêuticas básica e aplicada 28 (2), 2007 | 45 | 2007 |
Prevention, removal and inactivation of Escherichia coli and Staphylococcus aureus biofilms using selected monoterpenes of essential oils A Borges, JC Lopez‐Romero, D Oliveira, E Giaouris, M Simões Journal of Applied Microbiology 123 (1), 104-115, 2017 | 44 | 2017 |
Uncommon hydrogen bonds between a non-classical ethyl cation and π hydrocarbons: a preliminary study BG Oliveira, MLAA Vasconcellos, RR Olinda, EBA Filho Structural Chemistry 20, 81-90, 2009 | 42 | 2009 |
Um estudo teórico relativo à não-linearidade da ligação de hidrogênio em sistemas heterocíclicos C2H4O-C2H2 e C2H4S-C2H2 BG Oliveira, RCMU Araújo, A B Carvalho, MN Ramos Química Nova 30, 1167-1170, 2007 | 42 | 2007 |