JOYSpectra: A web platform for luminescence of lanthanides RT Moura Jr, ANC Neto, EC Aguiar, CV Santos-Jr, EM de Lima, ... Optical Materials: X 11, 100080, 2021 | 55 | 2021 |
Theoretical study of geometric and spectroscopic properties of Eu (III) complexes with Ruhemann’s Purple ligands ANC Neto, RT Moura Jr, EC Aguiar, CV Santos Jr, MA de Medeiros Journal of Luminescence 201, 451-459, 2018 | 34 | 2018 |
Featuring a new computational protocol for the estimation of intensity and overall quantum yield in lanthanide chelates with applications to Eu (III) mercapto-triazole Schiff … RT Moura Jr, M Quintano, CV Santos-Jr, VACA Albuquerque, EC Aguiar, ... Optical Materials: X 16, 100216, 2022 | 26 | 2022 |
Theoretical Evidence of the Singlet Predominance in the Intramolecular Energy Transfer in Ruhemann's Purple Tb (III) Complexes RT Moura Jr, JA Oliveira, IA Santos, EM de Lima, LD Carlos, EC Aguiar, ... Advanced Theory and Simulations, 2000304, 2021 | 24 | 2021 |
Adenine formation without HCN KM Merz Jr, EC Aguiar, JBP da Silva The Journal of Physical Chemistry A 118 (20), 3637-3644, 2014 | 22 | 2014 |
Theoretical calculations of the molecular properties of maleimide and its dimer EC Aguiar, JBP da Silva, MN Ramos Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71 (1), 5-9, 2008 | 12 | 2008 |
A theoretical study of the vibrational spectrum of maleimide EC Aguiar, JBP Da Silva, MN Ramos Journal of Molecular Structure 993 (1-3), 431-434, 2011 | 9 | 2011 |
Adaptive guided stochastic optimization: A novel approach for fitting the theoretical intensity parameters for lanthanide compounds CV Santos-Jr, EC Aguiar, ANC Neto, RT Moura Jr Optical Materials: X 20, 100275, 2023 | 7 | 2023 |
PICVib: An accurate, fast, and simple procedure to investigate selected vibrational modes at high theoretical levels MVP Santos, EC Aguiar, JBP Silva, RL Longo Journal of Computational Chemistry 34 (8), 611-621, 2013 | 3 | 2013 |
On the Ruhemann’s Purple electronic spectrum: the role of torsion angle and coordination with Zn (II) GF Rodrigues, EC Aguiar Journal of Molecular Modeling 26 (11), 316, 2020 | 2 | 2020 |
Modeling zigzag CNT: dependence of structural and electronic properties on length, and application to encapsulation of HCN and C2H2 EC Aguiar, RL Longo, JBP da Silva Journal of molecular modeling 23, 1-10, 2017 | 1 | 2017 |
Estudo teórico da maleimida, seus dímeros e trímeros EC AGUIAR | | 2008 |
Orbital Interactions in Hydrogen Bonds: A Perspective from the Chemical Bond Overlap Model RA Santos, CV Santos-Jr, EC Aguiar, AN Carneiro Neto, R Moura Jr Available at SSRN 4998492, 0 | | |
JOYSpectra RT MOURA JUNIOR, AN CARNEIRO NETO, EC AGUIAR, ... | | |