lucas modesto da costa

DeptF - DEPARTAMENTO DE FÍSICA

Produção Intelectual

Artigos (35)

• 2025, Lucas Modesto da Costa, NIEMAN, REED, AQUINO, ADELIA J. A., MECHREF, YEHIA, LISCHKA, HANS , The Use of Glycan Ensemble Structures and Nonpolar Surface Area Distributions for Correlating with Liquid Chromatography Retention Times, ISSN: 15499596
• 2024, MÁXIMO'CANADAS, MATHEUS, Lucas Modesto da Costa, BORGES, ITAMAR , Ab initio electronic absorption spectra of para -nitroaniline in different solvents: Intramolecular charge transfer effects, ISSN: 01928651
• 2023, CARVALHO-SILVA, TAYNARA, Lucas Modesto da Costa, BORGES, CAIO V.N., CAVALCANTE, SAMIR F.A., SOUSA, ROBERTO B., LIMA, ANTONIO L.S., BORGES, ITAMAR , 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-methylphosphonamidate, ISSN: 13873806
• 2023, CARVALHO-SILVA, TAYNARA, Lucas Modesto da Costa, BORGES, CAIO V.N., CAVALCANTE, SAMIR F.A., SOUSA, ROBERTO B., LIMA, ANTONIO L.S., BORGES, ITAMAR , 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-methylphosphonamidate, ISSN: 13873806
• 2023, PROVASI, PATRICIO F., Lucas Modesto da Costa, SAMPAIO, FELIPE, SILVA, TÉRCIO, DA CUNHA, ANTÔNIO R., ANDRADE-FILHO, TARCISO, GESTER, RODRIGO , The Importance of the Density Functional Theory Exchange-Correlation Hartree-Fock Term in Magnetic Resonance: Application to an Aqueous Environment, ISSN: 10895639
• 2023, VALVERDE, DANILLO, Lucas Modesto da Costa, LUDWIG, VALDEMIR, DA COSTA LUDWIG, ZÉLIA M. , Chirality of Alanine Molecules in Water Solvent: A Theoretical Perspective, ISSN: 15205215
• 2022, ALMEIDA, FRANCO F., Lucas Modesto da Costa, DA CUNHA, ANTONIO R., SANTOS, DARLISSON A., ANDRADE-FILHO, TARCISO, GESTER, RODRIGO , Understanding the Stokes shift and nonlinear optical behavior of 1-nitro-2-phenylethane: A sequential Monte Carlo/Quantum Mechanics discussion, ISSN: 00092614
• 2022, ALMEIDA, FRANCO F., Lucas Modesto da Costa, DA CUNHA, ANTONIO R., SANTOS, DARLISSON A., ANDRADE-FILHO, TARCISO, GESTER, RODRIGO , Understanding the Stokes shift and nonlinear optical behavior of 1-nitro-2-phenylethane: A sequential Monte Carlo/Quantum Mechanics discussion, ISSN: 00092614
• 2022, FONSECA, SÁVIO, SANTOS, LUCAS, PEREIRA, REGINA, Lucas Modesto da Costa, DA CUNHA, ANTÔNIO R., SIQUEIRA, MARCELO R. S., CARVALHO, FRANCISCO A. O., ANDRADE-FILHO, TARCISO, GESTER, RODRIGO , A DFT analysis of electronic, reactivity, and NLO responses of a reactive orange dye: the role of Hartree-Fock exchange corrections, ISSN: 16102940
• 2022, FONSECA, SÁVIO, Lucas Modesto da Costa, MILÁN-GARCÉS, ERIX, ANDRADE-FILHO, TARCISO, GESTER, RODRIGO, CUNHA, ANTÔNIO R. DA , Designing a novel organometallic chalcone with an enormous second-harmonic generation response, ISSN: 23524928
• 2021, LUDWIG, VALDEMIR, DE LIMA, ALESSANDRO HENRIQUE, Lucas Modesto da Costa, DA COSTA LUDWIG, ZÉLIA M., DE MENDONÇA, JOÃO PAULO ALMEIRA, QUIRINO, WELBER GIANINI, SATO, FERNANDO , Experimental and theoretical study of solvent effect in graphene oxide, ISSN: 01677322
• 2021, CHERNICHARO, FRANCISCO C. S., Lucas Modesto da Costa, BORGES, ITAMAR , Simulation of the electron ionization mass spectra of the Novichok nerve agent, ISSN: 10765174
• 2020, BARBOSA-SILVA, RENATO, SILVA-NETO, MANOEL L., BAIN, DIPANKAR, Lucas Modesto da Costa, ANDRADE-FILHO, TARCISO, MANZONI, VINÍCIUS, PATRA, AMITAVA, DE ARAÚJO, CID B. , Observation and Analysis of Incoherent Second-Harmonic Generation in Gold Nanoclusters with Six Atoms, ISSN: 19327447
• 2020, V. K. RIZZON, RICARDO, M. DA COSTA LUDWIG, ZÉLIA, Lucas Modesto da Costa, LUDWIG, VALDEMIR , Thyroxine: A Theoretical Study of the Vibrational and Electronic Properties, ISSN: 26749688
• 2020, BARBOSA-SILVA, RENATO, DA SILVA-NETO, MANOEL L., BAIN, DIPANKAR, Lucas Modesto da Costa, ANDRADE-FILHO, TARCISO SILVA DE, MANZONI, VINÍCIUS, PATRA, AMITAVA, DE ARAUJO, CID BARTOLOMEU , Observation and Analysis of Incoherent Second-Harmonic Generation in Gold Nanoclusters with Six Atoms, ISSN: 19327447
• 2020, CHERNICHARO, FRANCISCO C.S., Lucas Modesto da Costa, BORGES, ITAMAR , Molecular Dynamics Simulation of the Electron Ionization Mass Spectrum of Tabun, ISSN: 10765174
• 2019, DAMASCENO, MARCOS V. A., MANZONI, VINÍCIUS, Lucas Modesto da Costa, MOURA, GEANSO M., DEL NERO, JORDAN, TORRES, ALBERTO, GESTER, RODRIGO , Solvent effects on low-lying absorptions and vibrational spectra of thieno[3,4-b]pyrazines: the role of unconventional C-H···N bonds, ISSN: 25857290
• 2019, MANZONI, VINÍCIUS, Lucas Modesto da Costa, DEL NERO, JORDAN, ANDRADE-FILHO, TARCISO, GESTER, RODRIGO , Strong enhancement of NLO response of methyl orange dyes through solvent effects: A sequential Monte Carlo/DFT investigation, ISSN: 09253467
• 2018, Lucas Modesto da Costa, MARTINEZ, SABRINA T., PINTO, ANGELO C., VESSECCHI, RICARDO, Itamar Borges Junior , Elucidating the mass spectrum of the retronecine alkaloid using DFT calculations, ISSN: 10765174
• 2018, Lucas Modesto da Costa, BORGES, ITAMAR, Aquino, Adélia J. A., Lischka, Hans , Electronic structure theory gives insights into the higher efficiency of the PTB electron-donor polymers for organic photovoltaics in comparison with prototypical P3HT, ISSN: 00219606
• 2018, DA SILVA, JORGE ALBERTO VALLE, Lucas Modesto da Costa, DE KONING, MARTIJN C., Itamar Borges Junior, FRANÇA, TANOS CELMAR COSTA , Theoretical NMR and conformational analysis of solvated oximes for organophosphates-inhibited acetylcholinesterase reactivation, ISSN: 00222860
• 2018, Itamar Borges Junior, Silva, Alexander M., Lucas Modesto da Costa , Microwave effects on NiMoS and CoMoS single-sheet catalysts, ISSN: 09485023
• 2018, Lucas Modesto da Costa, BORGES, ITAMAR , Discrete and continuum modeling of solvent effects in a twisted intramolecular charge transfer system: The 4- N , N -dimethylaminobenzonitrile (DMABN) molecule, ISSN: 13861425
• 2017, Lucas Modesto da Costa, GESTER, RODRIGO M., MANZONI, VINÍCIUS , The role of electrostatic interactions and solvent polarity on the 15 N NMR shielding of azines, ISSN: 00092614
• 2016, BORGES, ITAMAR, UHL, ELMAR, Lucas Modesto da Costa, AQUINO, ADÉLIA J. A., LISCHKA, HANS , 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 Initio and Density Functional Theory, ISSN: 19327447
• 2016, Lucas Modesto da Costa, MUKHERJEE, PRASANTA KUMAR, Sylvio Roberto Accioly Canuto , A CASPT2 study of the spectral shift of the resonance emission lines of Rb and Cs embedded in liquid He, ISSN: 00092614
• 2016, CHAUDHURI, SUPRIYA K., Lucas Modesto da Costa, Mukherjee, Prasanta K. , Dynamic polarizability and electric multipolar transitions in two electron atoms under exponential cosine screened coulomb potential, ISSN: 1070664X
• 2016, BISTAFA, CARLOS, Lucas Modesto da Costa, Sylvio Canuto , A complete basis set study of the lowest n-π* and π-π* electronic transitions of acrolein in explicit water environment, ISSN: 1432881X
• 2015, Lucas Modesto da Costa, Sylvio Canuto, Mukherjee, Prasanta K. , Magnetic dipolar and quadrupolar transitions in two-electron atoms under exponential-cosine-screened Coulomb potential, ISSN: 10897674
• 2015, Lucas Modesto da Costa, Sylvio Canuto, Mukherjee, Prasanta K., FRICKE, BURKHARD , A simple model for a theoretical study of the spectral line shifts of alkali atoms attached to helium nanodroplets, ISSN: 00092614
• 2015, Lucas Modesto da Costa, Mukherjee, Prasanta K., Sylvio Canuto , Theoretical Study of the Spectral Shift of the Absorption Line of Rb and Cs in Liquid Helium, ISSN: 00092614
• 2015, Lucas Modesto da Costa, UHL, ELMAR, BORGES, ITAMAR , Water solvent effects using continuum and discrete models: The nitromethane molecule, CH NO, ISSN: 01928651
• 2012, Lucas Modesto da Costa, Kaline Rabelo Coutinho, Mukherjee, Prasanta K., Sylvio Canuto , Calculations of the Spectral Shifts and Line Profiles of Alkaline Earth Atoms in Liquid Helium Environment, ISSN: 00092614
• 2011, Lucas Modesto da Costa, Kaline Rabelo Coutinho, Mukherjee, Prasanta, Sylvio Canuto , Combining Monte Carlo simulation and density-functional theory to describe the spectral changes of Na_{2} in liquid helium, ISSN: 10502947
• 2008, Lucas Modesto da Costa, Domingos Lopes da Silva Júnior, José Nicodemos Teixeira Rabelo, Ladir Cândido da Silva , On the interaction of vacancies in a two-dimensional rare-gas crystal, ISSN: 00381098