Roberto Luiz Andrade Haiduke
Roberto Luiz Andrade Haiduke
DQFM - Instituto de Química de São Carlos - Universidade de São Paulo - São Carlos, SP, Brazil
E-mail confirmado em iqsc.usp.br - Página inicial
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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
882005
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
482000
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
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
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
232018
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
232014
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
202006
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
202006
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
202005
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
202004
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
192016
Nuclear electric quadrupole moment of bismuth from the molecular method
TQ Teodoro, RLA Haiduke
Physical Review A 88 (5), 052504, 2013
192013
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
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
182007
Atomic mean dipole moment derivative and anisotropic contributions to molecular infrared intensity sums
RLA Haiduke, AE De Oliveira, RE Bruns
The Journal of Physical Chemistry A 108 (32), 6788-6796, 2004
182004
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
172013
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
172002
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Artigos 1–20