| Trends of intramolecular hydrogen bonding in substituted alcohols: A deeper investigation LJ Karas, PR Batista, RV Viesser, CF Tormena, R Rittner, PR de Oliveira Physical Chemistry Chemical Physics 19 (25), 16904-16913, 2017 | 34 | 2017 |
| p-Aminobenzoic acid protonation dynamics in an evaporating droplet by ab initio molecular dynamics PR Batista, TC Penna, LC Ducati, TC Correra Physical Chemistry Chemical Physics 23 (35), 19659-19672, 2021 | 14 | 2021 |
| Dealing with hydrogen bonding on the conformational preference of 1, 3-aminopropanols: experimental and molecular dynamics approaches PR Batista, LJ Karas, RV Viesser, CC de Oliveira, MB Goncalves, ... The Journal of Physical Chemistry A 123 (40), 8583-8594, 2019 | 12 | 2019 |
| Solvent Effect on the 195 Pt NMR Properties in Pyridonate-Bridged Pt III Dinuclear Complex Derivatives investigated by ab Initio Molecular Dynamics and Localized Orbital Analysis PR Batista, LC Ducati, J Autschbach Physical Chemistry Chemical Physics, 2021 | 11 | 2021 |
| Analyzing the N–H+…π interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCI, and NBO AF Rodrigues-Oliveira, PR Batista, LC Ducati, TC Correra Theoretical Chemistry Accounts 139 (8), 130, 2020 | 9 | 2020 |
| Efficiency of activated carbons and natural bentonite to remove direct orange 39 from water L Carvalho, RA Konzen, ACM Cunha, PR Batista, FJ Bassetti, LA Coral Journal of Environmental Chemical Engineering 7 (6), 103496, 2019 | 7 | 2019 |
| Removal of methyl violet dye by adsorption process on hydrogen titanate nanotubes: Experimental-theoretical study DK dos Santos, R Treméa, E Lorençon, P Rodrigues Batista, ... Water, Air, & Soil Pollution 233 (5), 166, 2022 | 4 | 2022 |
| Flow Synthesis of 2‐[Methyl (pyridin‐2‐yl) amino] ethanol: An Experimental and Computational Study PV Cuesta Calvo, P Rodrigues Batista, R Rodrigues de Oliveira Silva, ... Chemical Engineering & Technology 44 (2), 283-290, 2021 | 4 | 2021 |
| Insights into sorption and molecular transport of atrazine, testosterone, and progesterone onto polyamide microplastics in different aquatic matrices MA Dias, PR Batista, LC Ducati, CC Montagner Chemosphere 318, 137949, 2023 | 3 | 2023 |
| Conformational analysis and electronic interactions of some 2-[2′-(4′-sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2-[2′-(phenylselanyl)-acetyl]-5-methylfuran J Valença, PR Olivato, DNS Rodrigues, PR Batista, LC Ducati, ... Journal of Molecular Structure 1225, 129088, 2021 | 3 | 2021 |
| New insights into bisphenol A removal from water applying experimental and theoretical studies RA Konzen, PR Batista, LC Ducati, TEA Souza, LC Cavalcante, ... Desalination and Water Treatment 227, 238, 2021 | 2 | 2021 |
| Spectroscopic and theoretical studies of some 2-(2′-ethylsulfanyl) acetyl-5-substituted furans and thiophenes DNS Rodrigues, PR Olivato, PR Batista, LC Ducati, M Dal Colle Journal of Molecular Structure 1261, 132895, 2022 | 1 | 2022 |
| Fontes de Biomassa e Potenciais de Uso M Jasper Editora Atena, 2019 | 1 | 2019 |
| Dynamic and relativistic effects on Pt–Pt indirect spin–spin coupling in aqueous solution studied by ab initio molecular dynamics and two-vs four-component density functional … PR Batista, LC Ducati, J Autschbach The Journal of Chemical Physics 160 (11), 2024 | | 2024 |
| Molecular dynamics and NMR reveal the coexistence of H-bond-assisted and through-space J FH coupling in fluorinated amino alcohols C Chiari, PR Batista, RV Viesser, LA Schenberg, LC Ducati, B Linclau, ... Organic & Biomolecular Chemistry 22 (13), 2580-2595, 2024 | | 2024 |
| APPLICATIONS OF NMR AND THEORETICAL CALCULATIONS TO STUDY THE O-H∙∙∙N INTRAMOLECULAR HYDROGEN BOND EFFECT ON THE CONFORMATIONAL EQUILIBRIUM OF CIS-3 … PR Oliveira, R Rittner, PG Guerrero Jr, PR Batista, GJ Costa Química Nova 46, 771-777, 2023 | | 2023 |
| An Unexpected Isomerisation of Isoquinuclidines RG Moura, PR Batista, LC Ducati, LF Yamaguchi, L Marzorati Journal of Physical Organic Chemistry, e4518, 2023 | | 2023 |
| From optically pure pyridinium salts to some new dihydro-2H-oxazolo [3, 2-a] pyridines RG Moura, PR Batista, LC Ducati, J Gruber, LF Yamaguchi, L Marzorati Results in Chemistry 5, 100820, 2023 | | 2023 |
| Efeito do solvente em cálculos de tensor blindagem e constante de acoplamento de complexos dinucleares de platina (III) via dinâmica molecular ab initio PR Batista, LC Ducati | | 2022 |
| NMR j-coupling constants and chemical shift of Pt-Pt bonded metal complexes in aqueous solution by ab initio molecular dynamics and localized orbital analysis P Batista, A Marchenko, LC Ducati, J Autschbach ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
Lucas Colucci DucatiProfessor do Instituto de Química, Universidade de São PauloVerified email at iq.usp.br
