Wagner Eduardo Richter
Title
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Cited by
Year
How accessible is atomic charge information from infrared intensities? A QTAIM/CCFDF interpretation
AF Silva, WE Richter, HGC Meneses, SHDM Faria, RE Bruns
The Journal of Physical Chemistry A 116 (31), 8238-8249, 2012
352012
Atomic charge transfer-counter polarization effects determine infrared CH intensities of hydrocarbons: a quantum theory of atoms in molecules model
AF Silva, WE Richter, HGC Meneses, RE Bruns
Physical Chemistry Chemical Physics 16 (42), 23224-23232, 2014
172014
Dynamic atomic contributions to infrared intensities of fundamental bands
AF Silva, WE Richter, ABMS Bassi, RE Bruns
Physical Chemistry Chemical Physics 17 (45), 30378-30388, 2015
132015
Characteristic infrared intensities of carbonyl stretching vibrations
WE Richter, AF Silva, LN Vidal, RE Bruns
Physical Chemistry Chemical Physics 18 (26), 17575-17585, 2016
102016
Review of Experimental GAPT and Infrared Atomic Charges in Molecules
WE Richter, LJ Duarte, AF Silva, RE Bruns
Journal of the Brazilian Chemical Society 27, 979-991, 2016
102016
An atom in molecules study of infrared intensity enhancements in fundamental donor stretching bands in hydrogen bond formation
LA Terrabuio, WE Richter, AF Silva, RE Bruns, RLA Haiduke
Physical Chemistry Chemical Physics 16 (45), 24920-24928, 2014
102014
Atomic polarizations necessary for coherent infrared intensity modeling with theoretical calculations
WE Richter, AF Silva, RE Bruns
The Journal of chemical physics 146 (13), 134107, 2017
82017
Quantum Theory of Atoms in Molecules/Charge–Charge Flux–Dipole Flux interpretation of fundamental vibrational intensity enhancements on H-bond formation of water trimer
AF Silva, WE Richter, RE Bruns
Chemical Physics Letters 610, 14-18, 2014
82014
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
AF Silva, WE Richter, LA Terrabuio, RLA Haiduke, RE Bruns
The Journal of chemical physics 140 (8), 084306, 2014
82014
Infrared Intensification and Hydrogen Bond Stabilization: Beyond Point Charges
LJ Duarte, AF Silva, WE Richter, RE Bruns
The Journal of Physical Chemistry A 123 (30), 6482-6490, 2019
72019
Computation of 3JHH coupling constants with a combination of density functional theory and semiempirical calculations. Application to complex molecules
WE Richter, RM Pontes, LA Abiko, GF Gauze, EA Basso
Computational and Theoretical Chemistry 1001, 7-14, 2012
72012
Levels of theory modifications and their effects on 1JCH SSCCs calculations: A factorial design analysis
WE Richter, TC Rozada, EA Basso, RM Pontes, GF Gauze
Computational and Theoretical Chemistry 964 (1-3), 116-120, 2011
72011
EVALUATION OF BIOATIVE COMPOUNDS AND ANTIOXIDANT ACTIVITY OF EXTRACTS OF BLACK MULBERRY LEAVES (Morus nigra L.) USING EXPERIMENTAL DESIGN
K Schafranski, MP Postigo, L Vitali, GA Micke, WE Richter, ES Chaves
Química Nova 42 (7), 736-744, 2019
5*2019
FTIR and dispersive gas phase fundamental infrared intensities of the fluorochloromethanes: Comparison with QCISD/cc-pVTZ results
LJ Duarte, AF Silva, WE Richter, RE Bruns
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 205, 269-275, 2018
52018
QTAIM charge–charge flux–dipole flux models for the fundamental infrared intensities of BF3 and BCl3
WE Richter, AF Silva, ACL Pitoli, PAM Vazquez, RE Bruns
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 116, 136-142, 2013
52013
Quantum theory of atoms in molecules charge–charge transfer–dipolar polarization classification of infrared intensities
LJ Duarte, WE Richter, AF Silva, RE Bruns
The Journal of Physical Chemistry A 121 (42), 8115-8123, 2017
42017
AC/DC Analysis: Broad and Comprehensive Approach to Analyze Infrared Intensities at the Atomic Level
WE Richter, LJ Duarte, LN Vidal, RE Bruns
The Journal of Physical Chemistry A 125 (15), 3219-3229, 2021
22021
Core–valence correlation effects on IR calculations: the BF 3 and BCl 3 cases
WE Richter, AF Silva, LN Vidal, PAM Vazquez, RE Bruns
Journal of molecular modeling 20 (7), 1-5, 2014
22014
Are “GAPT Charges” Really Just Charges?
WE Richter, LJ Duarte, RE Bruns
Journal of chemical information and modeling 61 (8), 3881-3890, 2021
12021
Atomic charge and atomic dipole modeling of gas-phase infrared intensities of fundamental bands for out-of-plane CH and CF bending vibrations
WE Richter, LJ Duarte, RE Bruns
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 251, 119393, 2021
12021
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