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Roberto Luiz Andrade Haiduke
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
Title
Cited by
Cited by
Year
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
892005
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
472000
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
431999
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
372014
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), 184308, 2006
312006
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), 131101, 2018
302018
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
292016
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
282006
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
252007
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
242014
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
222006
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
222006
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
222005
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
222004
Non-empirical exchange-correlation parameterizations based on exact conditions from correlated orbital theory
RLA Haiduke, RJ Bartlett
The Journal of chemical physics 148 (18), 184106, 2018
212018
Nuclear electric quadrupole moment of bismuth from the molecular method
TQ Teodoro, RLA Haiduke
Physical Review A 88 (5), 052504, 2013
212013
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
202013
Structural and kinetic insights into the mechanism for ring opening metathesis polymerization of norbornene with [RuCl2 (PPh3) 2 (piperidine)] as initiator complex
RJ Fernandes, TB Silva, BS Lima-Neto, RLA Haiduke
Journal of Molecular Catalysis A: Chemical 410, 58-65, 2015
192015
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
192005
A theoretical study on the XeF2 molecule
RLA Haiduke, H de Paiva Martins Filho, ABF da Silva
Chemical Physics 348 (1-3), 89-96, 2008
182008
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