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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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FAPESP support in numbers * Updated February 15, 2020
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Scientific publications resulting from Research Grants and Scholarships under the grantee's responsibility (34)

(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)

Publications34
Citations123
Cit./Article3.6
Data from Web of Science

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.; SPADA, R. F. K.; DA SILVA, A. B. F.; MACHADO, F. B. C.; HAIDUKE, R. L. A.. Could HCN Be Responsible for the Formamide Synthesis in Earth?s Primitive Atmosphere?. ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, v. 245, n. 1, . Web of Science Citations: 0. (19/07671-4, 17/07707-3, 14/23714-1, 18/05691-5, 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 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)

DA SILVA, NATIELI ALVES; ANDRADE HAIDUKE, ROBERTO LUIZ. Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge-charge flux-dipole flux model. Journal of Computational Chemistry, v. 40, n. 28, . Web of Science Citations: 0. (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: 2. (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: 5. (16/18704-2)

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: 2. (14/02939-5)

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: 1. (14/23714-1, 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)

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: 7. (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: 8. (12/22143-5, 10/18743-1)

ANDRADE HAIDUKE, ROBERTO LUIZ; BARTLETT, RODNEY J.. Communication: Can excitation energies be obtained from orbital energies in a correlated orbital theory?. Journal of Chemical Physics, v. 149, n. 13, . Web of Science Citations: 9. (16/18704-2)

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: 3. (14/23714-1, 10/18743-1)

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: 2. (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: 1. (14/23714-1, 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)

GUSMAO, ERIOSVALDO F.; SANTIAGO, REGIS T.; HAIDUKE, ROBERTO L. A.. Accurate nuclear quadrupole moment of ruthenium from the molecular method. Journal of Chemical Physics, v. 151, n. 19, . Web of Science Citations: 0. (14/23714-1)

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)

VICHIETTI, RAFAEL; SPADA, RENE F. K.; DA SILVA, ALBERICO B. F.; MACHADO, FRANCISCO B. C.; HAIDUKE, ROBERTO L. A.. A Proposal for the Mechanism of the CH + CO2 Reaction. ACS OMEGA, v. 4, n. 18, p. 17843-17849, . Web of Science Citations: 0. (19/07671-4, 17/07707-3, 10/18743-1, 18/05691-5, 14/23714-1)

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: 5. (16/18704-2)

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: 2. (14/23714-1, 17/07707-3, 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: 1. (14/23714-1, 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)

DA SILVA, NATIELI ALVES; ANDRADE HAIDUKE, ROBERTO LUIZ. Infrared intensity analysis of hydroxyl stretching modes in carboxylic acid dimers by means of the charge-charge flux-dipole flux model. Journal of Computational Chemistry, v. 40, n. 28, . Web of Science Citations: 0. (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.. Could HCN Be Responsible for the Formamide Synthesis in Earth?s Primitive Atmosphere?. ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES, v. 245, n. 1, . Web of Science Citations: 0. (19/07671-4, 17/07707-3, 14/23714-1, 18/05691-5, 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 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: 2. (14/02939-5)

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: 5. (14/23714-1, 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.; 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: 7. (11/02807-3, 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)

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: 6. (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)

Academic Publications

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

HAIDUKE, Roberto Luiz Andrade. O modelo do potencial simples como criterio para avaliação da qualidade de cargas atomicas. 1999. Dissertação (Mestrado) - Instituto de Química. Universidade Estadual de Campinas.

HAIDUKE, Roberto Luiz Andrade. Investigação de energias de ionização e intensidades vibracionais (IV) utilizando o modelo potencial simples. 2003. Tese (Doutorado) – Instituto de Quimica. Universidade Estadual de Campinas.

TEODORO, Tiago Quevedo. Desenvolvimento de conjuntos polarizados de funções de base relativísticas Gaussianas e aplicações. 2016. Tese (Doutorado) – Instituto de Química de São Carlos. Universidade de São Paulo (USP). São Carlos.

TERRABUIO, Luiz Alberto. Investigação dos multipolos atômicos da teoria quântica de átomos em moléculas no estudo de propriedades moleculares. 2013. Dissertação (Mestrado) - Instituto de Química de São Carlos. Universidade de São Paulo (USP). São Carlos.

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