Roberto Luiz Andrade Haiduke

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Roy BrunsProfessor de quimica universidade estadual de campinas, Campinas, SP BrazilVerified email at iqm.unicamp.br
Albérico Borges Ferreira da SilvaProfessor Titular, Instituto de Química de São Carlos - USPVerified email at iqsc.usp.br
Rafael Mario VichiettiPós-Doutorado no Instituto de Química de São Carlos, Universidade de São PauloVerified email at iqsc.usp.br
Rene Felipe Keidel SpadaDepartamento de Física, Instituto Tecnológico de AeronáuticaVerified email at ita.br
Luiz MacedoProfessor de Físico-química, Universidade Federal de São João del ReiVerified email at ufsj.edu.br
Lucas VisscherProfessor of Theoretical Chemistry, VU University AmsterdamVerified email at vu.nl
Sergio FariaProfessor, Universidade de São PauloVerified email at usp.br
Dr. Chérif F. MattaMount Saint Vincent UniversityVerified email at msvu.ca
rodney bartlettgraduate research professor, university of floridVerified email at qtp.ufl.edu
Arnaldo Fernandes da Silva FilhoMolecular Dynamics Research ScientistVerified email at exscientia.co.uk
Albérico Borges Ferreira da SilvaVerified email at iqsc.usp.br
Benedito S. Lima NetoProfessor de Química, Instituto de Química de São Carlos, USPVerified email at iqsc.usp.br
Rogerio CustodioProfessor of Physical Chemistry, State University of CampinasVerified email at unicamp.br
Rodrigo Araujo MendesPostdoctoral researcher, University of FloridaVerified email at ufl.edu
Wagner Eduardo RichterProfessor Adjunto, Universidade Tecnológica Federal do ParanáVerified email at utfpr.edu.br
Maximiliano SegalaInstituto de Química - Universidade Federal do Rio Grande do SulVerified email at ufrgs.br
José Roberto dos Santos PolitiProfessor de Química, Universidade de BrasíliaVerified email at unb.br
Marcos Roberto de Vasconcelos LanzaInstituto de Química de São Carlos (IQSC), Universidade de São Paulo (USP)Verified email at iqsc.usp.br
Marina Gomes RachidNetherlands Organization for Applied Scientific Research - TNO - DelftVerified email at strw.leidenuniv.nl
Guilherme Arantes CanellaPhD student at São Paulo State UniversityVerified email at unesp.br

Roberto Luiz Andrade Haiduke

DQFM - Instituto de Química de São Carlos - Universidade de São Paulo - São Carlos, SP, Brazil

Verified email at iqsc.usp.br - Homepage

theoretical chemistry infrared intensities relativistic effects atomic multipoles


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An Atomic Charge− Charge Flux− Dipole Flux Atom-in-Molecule Decomposition for Molecular Dipole-Moment Derivatives and Infrared Fundamental Intensities RLA Haiduke, RE Bruns The Journal of Physical Chemistry A 109 (11), 2680-2688, 2005	96	2005
Atomic mean dipole moment derivatives and GAPT charges AE de Oliveira, RLA Haiduke, RE Bruns The Journal of Physical Chemistry A 104 (22), 5320-5327, 2000	49	2000
A simple potential model criterion for the quality of atomic charges AE de Oliveira, PH Guadagnini, RLA Haiduke, RE Bruns The Journal of Physical Chemistry A 103 (25), 4918-4924, 1999	44	1999
Nonnuclear attractors in heteronuclear diatomic systems LA Terrabuio, TQ Teodoro, CF Matta, RLA Haiduke The Journal of Physical Chemistry A 120 (8), 1168-1174, 2016	43	2016
Communication: Can excitation energies be obtained from orbital energies in a correlated orbital theory? RLA Haiduke, RJ Bartlett The Journal of Chemical Physics 149 (13), 2018	42	2018
Electrochemical oxidation of imazapyr with BDD electrode in titanium substrate FL Souza, TQ Teodoro, VM Vasconcelos, FL Migliorini, PCFL Gomes, ... Chemosphere 117, 596-603, 2014	41	2014
The nuclear electric quadrupole moment of antimony from the molecular method RLA Haiduke, ABF da Silva, L Visscher The Journal of chemical physics 125 (6), 2006	40	2006
QTAIM Charge− Charge Flux− Dipole Flux Models for the Infrared Fundamental Intensities of the Fluorochloromethanes JV da Silva, RLA Haiduke, RE Bruns The Journal of Physical Chemistry A 110 (14), 4839-4845, 2006	32	2006
Nuclear electric quadrupole moment of bismuth from the molecular method TQ Teodoro, RLA Haiduke Physical Review A—Atomic, Molecular, and Optical Physics 88 (5), 052504, 2013	31	2013
Systematic theoretical study of non-nuclear electron density maxima in some diatomic molecules LA Terrabuio, TQ Teodoro, MG Rachid, RLA Haiduke The Journal of Physical Chemistry A 117 (40), 10489-10496, 2013	30	2013
Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory RLA Haiduke, RJ Bartlett The Journal of Chemical Physics 148 (18), 2018	28	2018
Relativistic Prolapse-Free Gaussian Basis Set of Quadruple-ζ Quality: (aug-)RPF-4Z. I. The s- and p-Block Elements TQ Teodoro, ABF da Silva, RLA Haiduke Journal of chemical theory and computation 10 (9), 3800-3806, 2014	27	2014
Quantum Theory of Atoms in Molecules Charge−Charge Flux−Dipole Flux Models for the Infrared Intensities of X₂CY (X = H, F, Cl; Y = O, S) Molecules SHDM Faria, JV da Silva, RLA Haiduke, LN Vidal, PAM Vazquez, ... The Journal of Physical Chemistry A 111 (32), 7870-7875, 2007	26	2007
Accurate relativistic adapted Gaussian basis sets for hydrogen through xenon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models RLA Haiduke, ABF Da Silva Journal of computational chemistry 27 (1), 61-71, 2006	26	2006
An accurate relativistic universal Gaussian basis set for hydrogen through Nobelium without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models RLA Haiduke, LGM De Macedo, ABF Da Silva Journal of computational chemistry 26 (9), 932-940, 2005	25	2005
A polynomial version of the generator coordinate dirac–fock method RLA Haiduke, LGM De Macedo, RC Barbosa, ABF Da Silva Journal of computational chemistry 25 (15), 1904-1909, 2004	25	2004
Accurate relativistic adapted Gaussian basis sets for Cesium through Radon without variational prolapse and to be used with both uniform sphere and Gaussian nucleus models RLA Haiduke, ABF Da Silva Journal of computational chemistry 27 (16), 1970-1979, 2006	24	2006
A charge–charge flux–dipole flux decomposition of the dipole moment derivatives and infrared intensities of the AB3 (A= N, P; B= H, F) molecules PH César, SHDM Faria, JV da Silva Jr, RLA Haiduke, RE Bruns Chemical physics 317 (1), 35-42, 2005	22	2005
QTAIM Charge− Charge Flux− Dipole Flux Models for the Infrared Fundamental Intensities of Difluoro-and Dichloroethylenes J Viçozo da Silva, SHDM Faria, RLA Haiduke, RE Bruns The Journal of Physical Chemistry A 111 (3), 515-520, 2007	20	2007
Quatro alternativas para resolver a equação de Schrödinger para o átomo de hidrogênio R Custodio, JRS Politi, M Segala, RLA Haiduke, M Cyrillo Química Nova 25, 159-170, 2002	20	2002

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