| Strong enhancement of NLO response of methyl orange dyes through solvent effects: A sequential Monte Carlo/DFT investigation V Manzoni, L Modesto-Costa, J Del Nero, T Andrade-Filho, R Gester Optical Materials 94, 152-159, 2019 | 44 | 2019 |
| Insight into the excited state electronic and structural properties of the organic photovoltaic donor polymer poly (thieno [3, 4-b] thiophene benzodithiophene) by means of ab … I Borges Jr, E Uhl, L Modesto-Costa, AJA Aquino, H Lischka The Journal of Physical Chemistry C 120 (38), 21818-21826, 2016 | 31 | 2016 |
| A complete basis set study of the lowest n–π* and π–π* electronic transitions of acrolein in explicit water environment C Bistafa, L Modesto-Costa, S Canuto Theoretical Chemistry Accounts 135, 1-7, 2016 | 18 | 2016 |
| Dynamic polarizability and electric multipolar transitions in two electron atoms under exponential cosine screened coulomb potential SK Chaudhuri, L Modesto-Costa, PK Mukherjee Physics of Plasmas 23 (5), 2016 | 17 | 2016 |
| Discrete and continuum modeling of solvent effects in a twisted intramolecular charge transfer system: The 4-N, N-dimethylaminobenzonitrile (DMABN) molecule L Modesto-Costa, I Borges Jr Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 201, 73-81, 2018 | 14 | 2018 |
| Observation and analysis of incoherent second-harmonic generation in gold nanoclusters with six atoms R Barbosa-Silva, ML Silva-Neto, D Bain, L Modesto-Costa, ... The Journal of Physical Chemistry C 124 (28), 15440-15447, 2020 | 12 | 2020 |
| Molecular dynamics simulation of the electron ionization mass spectrum of tabun FCS Chernicharo, L Modesto‐Costa, I Borges Jr Journal of Mass Spectrometry 55 (6), e4513, 2020 | 12 | 2020 |
| The role of electrostatic interactions and solvent polarity on the 15N NMR shielding of azines L Modesto-Costa, RM Gester, V Manzoni Chemical Physics Letters 686, 189-194, 2017 | 12 | 2017 |
| Water solvent effects using continuum and discrete models: The nitromethane molecule, CH3NO2 L Modesto‐Costa, E Uhl, I Borges Jr Journal of Computational Chemistry 36 (30), 2260-2269, 2015 | 12 | 2015 |
| Microwave effects on NiMoS and CoMoS single-sheet catalysts I Borges, AM Silva, L Modesto-Costa Journal of Molecular Modeling 24, 1-8, 2018 | 11 | 2018 |
| Theoretical NMR and conformational analysis of solvated oximes for organophosphates-inhibited acetylcholinesterase reactivation JAV da Silva, L Modesto-Costa, MC de Koning, I Borges Jr, TCC França Journal of Molecular Structure 1152, 311-320, 2018 | 9 | 2018 |
| Calculations of the spectral shifts and line profiles of alkaline earth atoms in liquid helium environment L Modesto-Costa, K Coutinho, PK Mukherjee, S Canuto Chemical Physics Letters 533, 25-29, 2012 | 8 | 2012 |
| The Importance of the Density Functional Theory Exchange–Correlation Hartree–Fock Term in Magnetic Resonance: Application to an Aqueous Environment PF Provasi, L Modesto-Costa, F Sampaio, T Silva, AR da Cunha, ... The Journal of Physical Chemistry A 127 (3), 619-626, 2023 | 7 | 2023 |
| A DFT analysis of electronic, reactivity, and NLO responses of a reactive orange dye: the role of Hartree-Fock exchange corrections S Fonseca, L Santos, R Pereira, L Modesto-Costa, AR da Cunha, ... Journal of Molecular Modeling 28 (4), 85, 2022 | 7 | 2022 |
| Solvent effects on low-lying absorptions and vibrational spectra of thieno[3,4-b]pyrazines: the role of unconventional C–H···N bonds MVA Damasceno, V Manzoni, L Modesto-Costa, GM Moura, J Del Nero, ... Chemical Papers 73, 1519-1527, 2019 | 7 | 2019 |
| Magnetic dipolar and quadrupolar transitions in two-electron atoms under exponential-cosine-screened Coulomb potential L Modesto-Costa, S Canuto, PK Mukherjee Physics of Plasmas 22 (3), 2015 | 7 | 2015 |
| On the interaction of vacancies in a two-dimensional rare-gas crystal LC L. Modesto, D.L.S. Júnior, J.N. Teixeira Rabelo Solid State Communications 145 (7-8), 355–358, 2008 | 7 | 2008 |
| Understanding the Stokes shift and nonlinear optical behavior of 1-nitro-2-phenylethane: A sequential Monte Carlo/Quantum Mechanics discussion FF Almeida, L Modesto-Costa, AR Da Cunha, DA Santos, ... Chemical Physics Letters 804, 139867, 2022 | 6 | 2022 |
| Simulation of the electron ionization mass spectra of the Novichok nerve agent FCS Chernicharo, L Modesto‐Costa, I Borges Jr Journal of Mass Spectrometry 56 (9), e4779, 2021 | 6 | 2021 |
| Synthesis, experimental and molecular dynamics simulation of the ESI-CID spectrum of the nerve agent Novichok analog O-2-methoxyethyl N-[bis (dimethylamino) methylidene]-P … T Carvalho-Silva, L Modesto-Costa, CVN Borges, SFA Cavalcante, ... International Journal of Mass Spectrometry 490, 117087, 2023 | 5 | 2023 |
Itamar Borges Jr.Professor of Physical-Chemistry and Physics, Military Institute of Engineering (IME)Verified email at ime.eb.br
