Arnaldo Fernandes da Silva Filho
Arnaldo Fernandes da Silva Filho
Research Associate, University of Nottingham
Verified email at nottingham.ac.uk
Title
Cited by
Cited by
Year
Quantifying electron correlation of the chemical bond
JL McDonagh, AF Silva, MA Vincent, PLA Popelier
The Journal of Physical Chemistry Letters 8 (9), 1937-1942, 2017
352017
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
Machine learning of dynamic electron correlation energies from topological atoms
JL McDonagh, AF Silva, MA Vincent, PLA Popelier
Journal of chemical theory and computation 14 (1), 216-224, 2017
222017
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
The effects of higher orders of perturbation theory on the correlation energy of atoms and bonds in molecules
MA Vincent, AF Silva, JL McDonagh, PLA Popelier
International Journal of Quantum Chemistry 118 (8), e25519, 2018
122018
MP2-IQA: Upscaling the analysis of topologically partitioned electron correlation
AF Silva, PLA Popelier
Journal of molecular modeling 24 (8), 1-10, 2018
112018
The transferability of topologically partitioned Electron correlation energies in water clusters
AF Silva, MA Vincent, JL McDonagh, PLA Popelier
ChemPhysChem 18 (23), 3360-3368, 2017
102017
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
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
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
A FFLUX Water Model: Flexible, Polarizable and with a Multipolar Description of Electrostatics
ZE Hughes, E Ren, JCR Thacker, BCB Symons, AF Silva, PLA Popelier
Journal of computational chemistry 41 (7), 619-628, 2019
92019
Contributions of IQA electron correlation in understanding the chemical bond and non-covalent interactions
AF Silva, LJ Duarte, PLA Popelier
Structural Chemistry, 1-13, 2020
82020
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
QTAIM Charge–Charge Flux–Dipole Flux Interpretation of Electronegativity and Potential Models of the Fluorochloromethane Mean Dipole Moment Derivatives
AF Silva, JV da Silva Jr, RLA Haiduke, RE Bruns
The Journal of Physical Chemistry A 115 (45), 12572-12581, 2011
72011
Atomic Partitioning of the MPn (n = 2, 3, 4) Dynamic Electron Correlation Energy by the Interacting Quantum Atoms Method: A Fast and Accurate Electrostatic …
MA Vincent, AF Silva, PLA Popelier
Journal of computational chemistry 40 (32), 2793-2800, 2019
52019
FTIR and dispersive gas phase fundamental infrared intensities of the fluorochloromethanes: Comparison with QCISD/cc-pVTZ results
REB Leonardo J. Duarte, Arnaldo F. Silva, Wagner E. Richter
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 205, 269-275, 2018
52018
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