| Interaction of polyelectrolyte complex between sodium alginate and chitosan dimers with a single glyphosate molecule: A DFT and NBO study MPM Costa, LM Prates, L Baptista, MTM Cruz, ILM Ferreira Carbohydrate polymers 198, 51-60, 2018 | 50 | 2018 |
| The furan microsolvation blind challenge for quantum chemical methods: First steps HC Gottschalk, A Poblotzki, MA Suhm, MM Al-Mogren, J Antony, AA Auer, ... The Journal of Chemical Physics 148 (1), 2018 | 50 | 2018 |
| Formation routes of interstellar glycine involving carboxylic acids: possible favoritism between gas and solid phase S Pilling, L Baptista, HM Boechat-Roberty, DPP Andrade Astrobiology 11 (9), 883-893, 2011 | 44 | 2011 |
| Oxidation mechanism of dimethyl sulfoxide (DMSO) by OH radical in liquid phase L Baptista, EC da Silva, G Arbilla Physical Chemistry Chemical Physics 10 (45), 6867-6879, 2008 | 39 | 2008 |
| Kinetics and thermodynamics of limonene ozonolysis L Baptista, R Pfeifer, EC da Silva, G Arbilla The Journal of Physical Chemistry A 115 (40), 10911-10919, 2011 | 34 | 2011 |
| The first microsolvation step for furans: New experiments and benchmarking strategies HC Gottschalk, A Poblotzki, M Fatima, DA Obenchain, C Pérez, J Antony, ... The Journal of Chemical Physics 152 (16), 2020 | 30 | 2020 |
| Photodissociation of methyl formate in circumstellar environment: stability under soft X-rays F Fantuzzi, S Pilling, ACF Santos, L Baptista, AB Rocha, ... Monthly Notices of the Royal Astronomical Society 417 (4), 2631-2641, 2011 | 29 | 2011 |
| SO 3 formation from the X-ray photolysis of SO 2 astrophysical ice analogues: FTIR spectroscopy and thermodynamic investigations V de Souza Bonfim, RB de Castilho, L Baptista, S Pilling Physical Chemistry Chemical Physics 19 (39), 26906-26917, 2017 | 28 | 2017 |
| A molecular dynamics study of components of the ginger (Zingiber officinale) extract inside human acetylcholinesterase: implications for Alzheimer disease T Cuya, L Baptista, T Celmar Costa França Journal of Biomolecular Structure and Dynamics 36 (14), 3843-3855, 2018 | 25 | 2018 |
| Theoretical investigation on the stability of ionic formic acid clusters L Baptista, DPP Andrade, AB Rocha, MLM Rocco, HM Boechat-Roberty, ... The Journal of Physical Chemistry A 112 (51), 13382-13392, 2008 | 19 | 2008 |
| Theoretical investigation of the gas phase oxidation mechanism of dimethyl sulfoxide by OH radical L Baptista, EC da Silva, G Arbilla Journal of Molecular Structure: THEOCHEM 851 (1-3), 1-14, 2008 | 16 | 2008 |
| Theoretical study of fluorination reaction by diethylaminosulfur trifluoride (DAST) L Baptista, GF Bauerfeldt, G Arbilla, EC Silva Journal of Molecular Structure: THEOCHEM 761 (1-3), 73-81, 2006 | 13 | 2006 |
| Prediction of Rate Coefficients for the H2CO + OH → HCO + H2O Reaction at Combustion, Atmospheric and Interstellar Medium Conditions G de Souza Machado, EM Martins, L Baptista, GF Bauerfeldt The Journal of Physical Chemistry A 124 (11), 2309-2317, 2020 | 12 | 2020 |
| Prediction of Rate Coefficients for the H2CO + OH → HCO + H2O Reaction at Combustion, Atmospheric and Interstellar Medium Conditions G de Souza Machado, EM Martins, L Baptista, GF Bauerfeldt The Journal of Physical Chemistry A 124 (11), 2309-2317, 2020 | 12 | 2020 |
| Theoretical study of Δ-3-(+)-carene oxidation L Baptista, LF Francisco, JF Dias, EC da Silva, CVF dos Santos, ... Physical Chemistry Chemical Physics 16 (36), 19376-19385, 2014 | 12 | 2014 |
| Thermodynamic and kinetic aspects of glycine and its radical cation under interstellar medium conditions NF Xavier Jr, L Baptista, GF Bauerfeldt Monthly Notices of the Royal Astronomical Society 486 (2), 2153-2164, 2019 | 11 | 2019 |
| Theoretical Investigation on the Stability of Negatively Charged Formic Acid Clusters L Baptista, DPP Andrade, AB Rocha, MLM Rocco, HM Boechat-Roberty, ... The Journal of Physical Chemistry A 114 (26), 6917-6926, 2010 | 11 | 2010 |
| Theoretical and experimental investigation on the stability of Cn= 1–6 H− and Cn= 1–4 Hx+ clusters F Fantuzzi, L Baptista, AB Rocha, EF da Silveira Chemical Physics 410, 109-117, 2013 | 10 | 2013 |
| Approach to evaluate the gas/aerosol partition coefficient of organic volatile compounds using DFT methods associated with polarizable continuum models LL de Castilho, FEB dos Santos, L Baptista Atmospheric Environment 224, 117363, 2020 | 8 | 2020 |
| Positive molecular ions and ion‐neutral complexes in the gas phase: Structure and stability of C2H4O2+· and C2H4O22+ isomers F Fantuzzi, L Baptista, AB Rocha, HM Boechat‐Roberty International Journal of Quantum Chemistry 112 (20), 3303-3311, 2012 | 7 | 2012 |
Sergio PillingProfessor of Physics, Astronomy and Astrochemistry, Universidade do Vale do Paraiba - UNIVAPVerified email at univap.br
