Advanced search
Start date
Betweenand

Lucas Colucci Ducati

CV Lattes ResearcherID ORCID


Universidade de São Paulo (USP). Instituto de Química (IQ)  (Institutional affiliation for the last research proposal)
Birthplace: Brazil

Graduate at Bacharelado Em Química from Universidade Estadual de Campinas (2004) and master's at Chemistry from Universidade Estadual de Campinas (2006) Post-doc from Universidade Estadual de Campinas (2010-2013) and visiting professor at State University of New York - Buffalo (SUNY - Buffalo) from 2015 to 2017. He has experience in Chemistry, focusing on Physical Chemistry, acting on the following subjects: NMR, ab initio molecular dynamics and theoretical calculations (Source: Lattes Curriculum)

News published in Agência FAPESP Newsletter about the researcher
Articles published in other media outlets (0 total):
More itemsLess items
VEICULO: TITULO (DATA)
VEICULO: TITULO (DATA)
Research grants
Scholarships in Brazil
Scholarships abroad
FAPESP support in numbers * Updated October 16, 2021
Total / Available in English
Most frequent collaborators in research granted by FAPESP
Contact researcher

Use this Research Supported by FAPESP (BV/FAPESP) channel only to send messages referring to FAPESP-funded scientific projects.


 

 

 

 

Keywords used by the researcher
Scientific publications resulting from Research Grants and Scholarships under the grantee's responsibility (25)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

Publications25
Citations195
Cit./Article7.8
Data from Web of Science

DUCATI, LUCAS C.; TAKAGI, NOZOMI; FRENKING, GERNOT. Molecules with All Triple Bonds: OCBBCO, N2BBN2, and [OBBBBO](2-). Journal of Physical Chemistry A, v. 113, n. 43, p. 11693-11698, . Web of Science Citations: 40.

VILCACHAGUA, JANAINA DANTAS; DUCATI, LUCAS C.; RITTNER, ROBERTO; CONTRERAS, RUBEN H.; TORMENA, CLAUDIO F.. Experimental, SOPPA(CCSD), and DFT Analysis of Substitutent Effects on NMR (1)J(CF) Coupling Constants in Fluorobenzene Derivatives. Journal of Physical Chemistry A, v. 115, n. 7, p. 1272-1279, . Web of Science Citations: 26. (05/59649-0)

MARTINS, CARINA R.; DUCATI, LUCAS C.; TORMENA, CLAUDIO F.; RITTNER, ROBERTO. Conformational analysis of 2-halocyclopentanones by NMR and IR spectroscopies and theoretical calculations. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v. 72, n. 5, p. 1089-1096, . Web of Science Citations: 5. (05/59649-0)

PHILIPS, ADAM; MARCHENKO, ALEX; DUCATI, LUCAS C.; AUTSCHBACH, JOCHEN. Quadrupolar N-14 NMR Relaxation from Force-Field and Ab Initio Molecular Dynamics in Different Solvents. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 15, n. 1, p. 509-519, . Web of Science Citations: 1. (17/17750-3, 15/08541-6)

VIESSER, RENAN V.; DUCATI, LUCAS C.; TORMENA, CLAUDIO F.; AUTSCHBACH, JOCHEN. The halogen effect on the C-13 NMR chemical shift in substituted benzenes. Physical Chemistry Chemical Physics, v. 20, n. 16, p. 11247-11259, . Web of Science Citations: 9. (17/17750-3, 17/20890-1, 15/08541-6, 15/20106-3, 14/21930-9, 13/03477-2, 12/12414-1, 11/17357-3)

VIESSER, RENAN V.; DUCATI, LUCAS C.; AUTSCHBACH, JOCHEN; TORMENA, CLAUDIO F.. Effects of stereoelectronic interactions on the relativistic spin-orbit and paramagnetic components of the C-13 NMR shielding tensors of dihaloethenes. Physical Chemistry Chemical Physics, v. 17, n. 29, p. 19315-19324, . Web of Science Citations: 8. (10/15765-4, 14/21930-9, 13/03477-2, 12/12414-1, 11/17357-3)

CONTRERAS, RUBEN H.; LLORENTE, TOMAS; DUCATI, LUCAS COLUCCI; TORMENA, CLAUDIO FRANCISCO. Revisiting NMR Through-Space J(FF) Spin-Spin Coupling Constants for Getting Insight into Proximate F---F Interactions. Journal of Physical Chemistry A, v. 118, n. 27, p. 5068-5075, . Web of Science Citations: 9. (10/15765-4, 11/17357-3)

CORRERA, THIAGO CARITA; FERNANDES, ANDRE SANTOS; REGINATO, MARCELO MOTA; DUCATI, LUCAS COLUCCI; BERDEN, GIEL; OOMENS, JOS. Probing the geometry reorganization from solution to gas-phase in putrescine derivatives by IRMPD, H-1-NMR and theoretical calculations. Physical Chemistry Chemical Physics, v. 19, n. 35, p. 24330-24340, . Web of Science Citations: 4. (15/08539-1, 15/08541-6, 14/21930-9, 14/15962-5, 15/11769-9)

SURBELLA, III, ROBERT G.; DUCATI, LUCAS C.; PELLEGRINI, KRISTI L.; MCNAMARA, BRUCE K.; AUTSCHBACH, JOCHEN; SCHWANTES, JON M.; CAHILL, CHRISTOPHER L.. A new Pu(III) coordination geometry in (C5H5NBr)(2)[PuCl3(H2O)(5)].2Cl.2H(2)O as obtained via supramolecular assembly in aqueous, high chloride media. CHEMICAL COMMUNICATIONS, v. 53, n. 78, p. 10816-10819, . Web of Science Citations: 2. (14/21930-9, 15/08541-6)

VIESSER, RENAN V.; DUCATI, LUCAS C.; AUTSCHBACH, JOCHEN; TORMENA, CLAUDIO F.. NMR spin-spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal (3)J(HF) coupling. Physical Chemistry Chemical Physics, v. 18, n. 34, p. 24119-24128, . Web of Science Citations: 4. (15/08541-6, 15/20106-3, 14/21930-9, 13/03477-2, 12/12414-1, 11/17357-3)

CARTER, KOREY P.; KALAJ, MARK; SURBELLA, III, ROBERT G.; DUCATI, LUCAS C.; AUTSCHBACH, JOCHEN; CAHILL, CHRISTOPHER L.. Engaging the Terminal: Promoting Halogen Bonding Interactions with Uranyl Oxo Atoms. CHEMISTRY-A EUROPEAN JOURNAL, v. 23, n. 61, p. 15355-15369, . Web of Science Citations: 17. (14/21930-9)

CHAUDHURI, PUSPITAPALLAB; DUCATI, LUCAS C.; GHOSH, ANGSULA. Spin-spin coupling constants in linear substituted HCN clusters. Molecular Physics, v. 117, n. 6, p. 693-704, . Web of Science Citations: 0. (17/17750-3, 15/08541-6)

SURBELLA, III, ROBERT G.; DUCATI, LUCAS C.; PELLEGRINI, KRISTI L.; MCNAMARA, BRUCE K.; AUTSCHBACH, JOCHEN; SCHWANTES, JON M.; CAHILL, CHRISTOPHER L.. Transuranic Hybrid Materials: Crystallographic and Computational Metrics of Supramolecular Assembly. Journal of the American Chemical Society, v. 139, n. 31, p. 10843-10855, . Web of Science Citations: 17. (14/21930-9)

SURBELLA, III, ROBERT G.; DUCATI, LUCAS C.; AUTSCHBACH, JOCHEN; DEIFEL, NICHOLAS P.; CAHILL, CHRISTOPHER L.. Thermochromic Uranyl Isothiocyanates: Influencing Charge Transfer Bands with Supramolecular Structure. Inorganic Chemistry, v. 57, n. 5, p. 2455-2471, . Web of Science Citations: 10. (14/21930-9)

KONZEN, R. A.; BATISTA, P. R.; DUCATI, L. C.; SOUZA, T. E. A.; CAVALCANTE, L. C.; SANTOS, C. E.; BASSETTI, F. J.; RODRIGUES, P. C.; CORAL, L. A.. New insights into bisphenol A removal from water applying experimental and theoretical studies. Desalination and Water Treatment, v. 227, p. 238-249, . Web of Science Citations: 0. (17/17750-3, 18/07308-4)

CUESTA CALVO, PAULO VICTOR; BATISTA, PATRICK RODRIGUES; DE OLIVEIRA SILVA, RENAN RODRIGUES; CONVERTI, ATTILIO; AL ARNI, SALEH; SOLISIO, CARLO; DUCATI, LUCAS C.; ALVES PALMA, MAURI SERGIO. Flow Synthesis of 2-[Methyl(pyridin-2-yl)amino]ethanol: An Experimental and Computational Study. CHEMICAL ENGINEERING & TECHNOLOGY, v. 44, n. 2, . Web of Science Citations: 0. (18/07308-4, 17/12830-9, 18/26717-2, 20/10246-0, 18/01478-5, 17/17750-3)

VALENCA, J.; OLIVATO, PAULO R.; RODRIGUES, DANIEL N. S.; BATISTA, PATRICK R.; DUCATI, LUCAS C.; DAL COLLE, MAURIZIO. Conformational analysis and electronic interactions of some 2-[2 `-(4 `-sustituted-phenylsulfanyl)-acetyl]-5-substituted furans and 2-[2 `-(phenylselanyl)-acetyl]-5-methylfuran. Journal of Molecular Structure, v. 1225, . Web of Science Citations: 0. (18/07308-4, 16/21676-0, 17/17750-3)

BATISTA, PATRICK R.; DUCATI, LUCAS C.; AUTSCHBACH, JOCHEN. Solvent effect on the Pt-195 NMR properties in pyridonate-bridged Pt-III dinuclear complex derivatives investigated by ab initio molecular dynamics and localized orbital analysis. Physical Chemistry Chemical Physics, v. 23, n. 22, p. 12864-12880, . Web of Science Citations: 0. (17/17750-3, 18/07308-4)

CUNHA NETO, ALVARO; DUCATI, LUCAS C.; RITTNER, ROBERTO; TORMENA, CLAUDIO F.; CONTRERAS, RUBEN H.; FRENKING, GERNOT. Heavy Halogen Atom Effect on C-13 NMR Chemical Shifts in Monohalo Derivatives of Cyclohexane and Pyran. Experimental and Theoretical Study. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 5, n. 9, p. 2222-2228, . Web of Science Citations: 25.

VIESSER, RENAN V.; DUCATI, LUCAS C.; TORMENA, CLAUDIO F.; AUTSCHBACH, JOCHEN. The unexpected roles of sigma and pi orbitals in electron donor and acceptor group effects on the C-13 NMR chemical shifts in substituted benzenest. CHEMICAL SCIENCE, v. 8, n. 9, p. 6570-6576, . Web of Science Citations: 13. (15/08541-6, 15/20106-3, 14/21930-9, 13/03477-2, 12/12414-1, 11/17357-3)

ABDULLAYEV, YUSIF; ABBASOV, VAGIF; DUCATI, LUCAS C.; TALYBOV, AVTANDIL; AUTSCHBACH, JOCHEN. Ionic Liquid Solvation versus Catalysis: Computational Insight from a Multisubstituted Imidazole Synthesis in [Et2NH2][HSO4]. CHEMISTRYOPEN, v. 5, n. 5, p. 460-469, . Web of Science Citations: 2. (14/21930-9)

DUCATI, LUCAS C.; MARCHENKO, ALEX; AUTSCHBACH, JOCHEN. NMR J-Coupling Constants of TI-Pt Bonded Metal Complexes in Aqueous Solution: Ab Initio Molecular Dynamics and Localized Orbital Analysis. Inorganic Chemistry, v. 55, n. 22, p. 12011-12023, . Web of Science Citations: 3. (14/21930-9)

BATISTA, PATRICK R.; KARAS, LUCAS J.; VIESSER, RENAN V.; DE OLIVEIRA, CYNTHIA C.; GONCALVES, MARCOS B.; TORMENA, CLAUDIO F.; RITTNER, ROBERTO; DUCATI, LUCAS C.; DE OLIVEIRA, PAULO R.. Dealing with Hydrogen Bonding on the Conformational Preference of 1,3-Aminopropanols: Experimental and Molecular Dynamics Approaches. Journal of Physical Chemistry A, v. 123, n. 40, p. 8583-8594, . Web of Science Citations: 0. (17/20890-1, 17/17750-3, 15/08541-6, 14/25903-6, 18/07308-4)

BATISTA, PATRICK R.; PENNA, TATIANA C.; DUCATI, LUCAS C.; CORRERA, THIAGO C.. p-Aminobenzoic acid protonation dynamics in an evaporating droplet by ab initio molecular dynamics. Physical Chemistry Chemical Physics, v. 23, n. 35, . Web of Science Citations: 0. (20/10246-0, 17/20262-0, 19/25634-9, 18/07308-4, 15/08539-1, 14/15962-5)

RODRIGUES-OLIVEIRA, ANDRE F.; BATISTA, PATRICK R.; DUCATI, LUCAS C.; CORRERA, THIAGO C.. Analyzing the N-H+center dot center dot center dot pi interactions of protonated tryptophan and phenylalkylamines using QTAIM, NCl, and NBO. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 8, . Web of Science Citations: 0. (19/25634-9, 14/15962-5, 15/08539-1, 18/07308-4)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

DUCATI, Lucas Colucci. Adapatação de métodos de estrutura eletrônica em cálculos de propriedades de ressonância magnética nuclear e barreiras de rotação interna. Tese (Doutorado) -  Instituto de Química.  Universidade Estadual de Campinas.  (06/02783-9

Please report errors in researcher information by writing to: cdi@fapesp.br.
X

Report errors in this page


Error details: