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Roberto Luiz Andrade Haiduke

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

B.Sc. degree from Federal University of Paraná (1996), M.Sc. degree from University of Campinas (1999) and Ph.D. degree from University of Campinas (2003). He was an adjunct professor at Federal University of Paraná (from 2006 to 2008). Actually, he is an associated professor at São Carlos Institute of Chemistry, University of São Paulo (since 2009). Has experience in Chemistry, focusing on Theoretical Chemistry, acting on the following subjects: infrared intensities, QTAIM, atomic charges, basis set development, relativistic calculations and accurate nuclear quadrupole moment determinations. (Source: Lattes Curriculum)

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Scholarships in Brazil
Scholarships abroad
FAPESP support in numbers*
*Updated October 20, 2018
Most frequent collaborators in research granted by FAPESP
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Keywords used by the researcher
Scientific publications resulting from Research Grants and Scholarships under the grantee's responsibility (29)

(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)

Publications29
Citations86
Cit./Article3.0
Data from Web of Science

VICHIETTI, R. M.; SPADA, R. F. K.; DA SILVA, A. B. F.; MACHADO, F. B. C.; HAIDUKEL, R. L. A.. Implications of the (H2O)(n) + CO <-> trans-HCOOH + (H2O)(n-1) (n=1, 2, and 3) reactions for primordial atmospheres of Venus and Earth. Monthly Notices of the Royal Astronomical Society, v. 475, n. 3, p. 3191-3200, . Web of Science Citations: 0. (14/23714-1, 17/07707-3, 10/18743-1)

HAIDUKE, ROBERTO LUIZ A.; BARTLETT, RODNEY J.. Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory. Journal of Chemical Physics, v. 148, n. 18, . Web of Science Citations: 2. (16/18704-2)

SANTIAGO, REGIS T.; HAIDUKE, ROBERTO L. A.. Relativistic effects on inversion barriers of pyramidal group 15 hydrides. International Journal of Quantum Chemistry, v. 118, n. 14, . Web of Science Citations: 0. (14/23714-1, 10/18743-1)

TERRABUIO, LUIZ ALBERTO; ANDRADE HAIDUKE, ROBERTO LUIZ; MATTA, CHERIF F.. Difluorodiazirine (CF2N2): A comparative quantum mechanical study of the first triplet and first singlet excited states. Chemical Physics Letters, v. 655, p. 96-102, . Web of Science Citations: 4. (14/23714-1, 10/18743-1)

TEODORO, TIAGO QUEVEDO; ANDRADE HAIDUKE, ROBERTO LUIZ; DAMMALAPATI, UMAKANTH; KNOOP, STEVEN; VISSCHER, LUCAS. The ground-state potential energy curve of the radium dimer from relativistic coupled cluster calculations. Journal of Chemical Physics, v. 143, n. 8, . Web of Science Citations: 1. (14/02939-5)

TERRABUIO, LUIZ A.; RICHTER, WAGNER E.; SILVA, ARNALDO F.; BRUNS, ROY E.; HAIDUKE, ROBERTO L. A.. An atom in molecules study of infrared intensity enhancements in fundamental donor stretching bands in hydrogen bond formation. Physical Chemistry Chemical Physics, v. 16, n. 45, p. 24920-24928, . Web of Science Citations: 5. (11/02807-3, 10/18743-1)

TEODORO, TIAGO QUEVEDO; FERREIRA DA SILVA, ALBERICO BORGES; ANDRADE HAIDUKE, ROBERTO LUIZ. Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-zeta Quality: (aug-)RPF-4Z. II. The d-Block Elements. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 10, n. 11, p. 4761-4764, . Web of Science Citations: 5. (12/22143-5, 10/18743-1)

FERNANDES, RONALDO J.; SILVA, TIAGO B.; LIMA-NETO, BENEDITO S.; HAIDUKE, ROBERTO L. A.. Structural and kinetic insights into the mechanism for ring opening metathesis polymerization of norbornene with [RuCl2(PPh3)(2)(piperidine)] as initiator complex. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, v. 410, p. 58-65, . Web of Science Citations: 5. (10/18743-1)

VICHIETTI, R. M.; HAIDUKE, R. L. A.. Kinetic study of the isomerization reaction HCnN -> HCn-1NC (n=1, 3 and 5). Monthly Notices of the Royal Astronomical Society, v. 437, n. 3, p. 2351-2360, . Web of Science Citations: 3. (10/18743-1)

TERRABUIO, LUIZ ALBERTO; ANDRADE HAIDUKE, ROBERTO LUIZ; MATTA, CHERIF F.. Difluorodiazirine (CF2N2): a quantum mechanical study of the electron density and of the electrostatic potential in the ground and excited electronic states. THEORETICAL CHEMISTRY ACCOUNTS, v. 135, n. 3, . Web of Science Citations: 4. (14/23714-1, 10/18743-1)

TERRABUIO, LUIZ ALBERTO; TEODORO, TIAGO QUEVEDO; MATTA, CHERIF F.; ANDRADE HAIDUKE, ROBERTO LUIZ. Nonnuclear Attractors in Heteronuclear Diatomic Systems. Journal of Physical Chemistry A, v. 120, n. 8, p. 1168-1174, . Web of Science Citations: 5. (12/22143-5, 10/18743-1)

DA SILVA, NATIELI ALVES; TERRABUIO, LUIZ ALBERTO; ANDRADE HAIDUKE, ROBERTO LUIZ. A quantum theory atoms in molecules investigation of Lewis base protonation. International Journal of Quantum Chemistry, v. 117, n. 3, p. 197-207, . Web of Science Citations: 0. (14/23714-1, 10/18743-1)

SANTIAGO, REGIS TADEU; ANDRADE HAIDUKE, ROBERTO LUIZ. Nuclear electric quadrupole moment of gold from the molecular method. Physical Review A, v. 91, n. 4, . Web of Science Citations: 3. (10/18743-1)

SANTIAGO, REGIS TADEU; ANDRADE HAIDUKE, ROBERTO LUIZ. New Density Functional Parameterizations to Accurate Calculations of Electric Field Gradient Variations among Compounds. Journal of Computational Chemistry, v. 36, n. 28, p. 2125-2130, . Web of Science Citations: 1. (10/18743-1)

VICHIETTI, R. M.; HAIDUKE, R. L. A.. Theoretical kinetic study of large species in the isomerization reaction HCnN -> HCn-1NC (n=7, 9 and 11). Monthly Notices of the Royal Astronomical Society, v. 445, n. 4, p. 3610-3619, . Web of Science Citations: 0. (10/18743-1)

TEODORO, TIAGO QUEVEDO; ANDRADE HAIDUKE, ROBERTO LUIZ; VISSCHER, LUCAS. Nuclear electric quadrupole moment of potassium from the molecular method. Physical Review A, v. 91, n. 3, . Web of Science Citations: 3. (14/02939-5)

TEODORO, TIAGO Q.; HAIDUKE, ROBERTO L. A.. A theoretical analysis of atomic charge fluxes in chlorofluoromethanes and relationship with bonding character descriptors. RSC ADVANCES, v. 4, n. 75, p. 39853-39859, . Web of Science Citations: 0. (12/22143-5, 10/18743-1)

TEODORO, TIAGO QUEVEDO; FERREIRA DA SILVA, ALBERICO BORGES; ANDRADE HAIDUKE, ROBERTO LUIZ. Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-zeta Quality: (aug-)RPF-4Z. I. The s- and p-Block Elements. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 10, n. 9, p. 3800-3806, . Web of Science Citations: 10. (12/22143-5, 10/18743-1)

SILVA, ARNALDO F.; RICHTER, WAGNER E.; BRUNS, ROY E.. Quantum Theory of Atoms in Molecules/Charge-Charge Flux-Dipole Flux interpretation of fundamental vibrational intensity enhancements on H-bond formation of water trimer. Chemical Physics Letters, v. 610, p. 14-18, . Web of Science Citations: 4. (10/18743-1)

SILVA, ARNALDO F.; RICHTER, WAGNER E.; TERRABUIO, LUIZ A.; HAIDUKE, ROBERTO L. A.; BRUNS, ROY E.. Quantum theory of atoms in molecules/charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride. Journal of Chemical Physics, v. 140, n. 8, . Web of Science Citations: 6. (11/02807-3, 10/18743-1)

TERRABUIO, LUIZ A.; TEODORO, TIAGO Q.; RACHID, MARINA G.; HAIDUKE, ROBERTO L. A.. Systematic Theoretical Study of Non-nuclear Electron Density Maxima in Some Diatomic Molecules. Journal of Physical Chemistry A, v. 117, n. 40, p. 10489-10496, . Web of Science Citations: 6. (12/22143-5, 10/18743-1)

SANTIAGO, REGIS TADEU; TEODORO, TIAGO QUEVEDO; ANDRADE HAIDUKE, ROBERTO LUIZ. The nuclear electric quadrupole moment of copper. Physical Chemistry Chemical Physics, v. 16, n. 23, p. 11590-11596, . Web of Science Citations: 9. (12/22143-5, 10/18743-1)

TERRABUIO, LUIZ ALBERTO; DA SILVA, NATIELI ALVES; ANDRADE HAIDUKE, ROBERTO LUIZ; MATTA, CHERIF F.. Real space atomic decomposition of fundamental properties of carbon monoxide in the ground and the two lowest lying excited electronic states. Molecular Physics, v. 115, n. 15-16, SI, p. 1955-1965, . Web of Science Citations: 1. (14/23714-1, 10/18743-1)

VICHIETTI, RAFAEL MARIO; KEIDEL SPADA, RENE FELIPE; FERREIRA DA SILVA, ALBERICO BORGES; CORRETO MACHADO, FRANCISCO BOLIVAR; ANDRADE HAIDUKE, ROBERTO LUIZ. Accurate Calculations of Rate Constants for the Forward and Reverse H2O + CO <-> HCOOH Reactions. CHEMISTRYSELECT, v. 2, n. 24, p. 7267-7272, . Web of Science Citations: 1. (14/23714-1, 17/07707-3, 10/18743-1)

VICHIETTI, R. M.; DA SILVA, A. B. F.; HAIDUKE, R. L. A.. Providing theoretical data for detection of four formamidic acid isomers in astrophysical media. MOLECULAR ASTROPHYSICS, v. 10, p. 1-10, . Web of Science Citations: 0. (14/23714-1, 10/18743-1)

ORENHA, RENATO PEREIRA; SANTIAGO, REGIS TADEU; ANDRADE HAIDUKE, ROBERTO LUIZ; GALEMBECK, SERGIO EMANUEL. How computational methods and relativistic effects influence the study of chemical reactions involving Ru-NO complexes?. Journal of Computational Chemistry, v. 38, n. 12, p. 883-891, . Web of Science Citations: 4. (15/15176-2, 14/23714-1, 11/20351-7, 08/02677-0, 10/18743-1)

CANELLA, GUILHERME A.; SANTIAGO, REGIS T.; HAIDUKE, ROBERTO L. A.. Accurate determination of the nuclear quadrupole moment of xenon from the molecular method. Chemical Physics Letters, v. 660, p. 228-232, . Web of Science Citations: 2. (14/23714-1, 10/18743-1)

VICHIETTI, R. M.; SPADA, R. F. K.; DA SILVA, A. B. F.; MACHADO, F. B. C.; HAIDUKE, R. L. A.. THE H-2 + CO <-> H2CO REACTION: RATE CONSTANTS AND RELEVANCE TO HOT AND DENSE ASTROPHYSICAL MEDIA. ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, v. 225, n. 1, . Web of Science Citations: 2. (14/25734-0, 14/23714-1, 14/24155-6, 10/18743-1)

TEODORO, TIAGO QUEVEDO; VISSCHER, LUCAS; FERREIRA DA SILVA, ALBERICO BORGES; ANDRADE HAIDUKE, ROBERTO LUIZ. Relativistic Prolapse -Free Gaussian Basis Sets of Quadruple-zeta Quality: (aug-)RPF-4Z. III. The f-Block Elements. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 13, n. 3, p. 1094-1101, . Web of Science Citations: 0. (14/23714-1, 12/22143-5, 14/02939-5, 10/18743-1)

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