Publications by authors named "Jorge Fe"

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Analysis and interpretation of experimental UV-Vis absorption spectra of benzochalcogenadiazoles and quinoxaline heterocycles through TDDFT.
F E Jorge, M J S Matos, A A Vieira, T Cazati, B B Postacchini

J Mol Model· August 2025

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A FPGA based recurrent neural networks-based impedance spectroscopy system for detection of YAKE in tuna.
Rafael Gadea-Girones, Jose M Monzo, Ricardo Colom-Palero, Jorge Fe, Marta Castro-Giraldez

Sci Rep· July 2025

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ZORA Gaussian basis sets for Fr, Ra, and Ac.
Antônio Canal Neto, Francisco Elias Jorge, Thieberson Gomes

J Mol Model· September 2022

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ZORA all-electron double zeta basis sets for the elements from H to Xe: application in atomic and molecular property calculations.
Antônio Canal Neto, Amanda Z de Oliveira, Francisco Elias Jorge, Giuseppi G Camiletti

J Mol Model· July 2021

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All-electron basis sets augmented with diffuse functions for He, Ca, Sr, Ba, and lanthanides: application in calculations of atomic and molecular properties.
I B Ferreira, C T Campos, F E Jorge

J Mol Model· April 2020

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Segmented all-electron basis sets of triple zeta quality for the lanthanides: application to structure calculations of lanthanide monoxides.
A Z de Oliveira, I B Ferreira, C T Campos, F E Jorge, P A Fantin

J Mol Model· January 2019

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TDDFT calculations and photoacoustic spectroscopy experiments used to identify phenolic acid functional biomolecules in Brazilian tropical fruits in natura.
M Lourenço Neto, K L Agra, J Suassuna Filho, F E Jorge

Spectrochim Acta A Mol Biomol Spectrosc· March 2018

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All-electron Gaussian basis sets of double zeta quality for the actinides.
L S C Martins, F E Jorge, M L Franco, I B Ferreira

J Chem Phys· December 2016

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Electronic circular dichroism of chiral alkenes: B3LYP and CAM-B3LYP calculations.
Francisco E Jorge, Sara S Jorge, Rogério N Suave

Chirality· January 2015

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XZP + 1d and XZP + 1d-DKH basis sets for second-row elements: application to CCSD(T) zero-point vibrational energy and atomization energy calculations.
Cesar T Campos, Francisco E Jorge, Júlia M A Alves

J Mol Model· September 2012

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Contracted Gaussian basis sets for Douglas-Kroll-Hess calculations: Estimating scalar relativistic effects of some atomic and molecular properties.
F E Jorge, A Canal Neto, G G Camiletti, S F Machado

J Chem Phys· February 2009

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Gaussian basis set of double zeta quality for atoms K through Kr: application in DFT calculations of molecular properties.
G G Camiletti, S F Machado, F E Jorge

J Comput Chem· November 2008

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Density functional theory calculations of optical rotation: employment of ADZP and its comparison with other basis sets.
Antônio Canal Neto, Francisco E Jorge

Chirality· January 2007

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On the origin of optical activity in tris-diamine complexes of Co(III) and Rh(III): a simple model based on time-dependent density function theory.
Francisco Elias Jorge, Jochen Autschbach, Tom Ziegler

J Am Chem Soc· January 2005

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On the origin of the optical activity in the d-d transition region of tris-bidentate Co(III) and Rh(III) complexes.
Francisco E Jorge, Jochen Autschbach, Tom Ziegler

Inorg Chem· December 2003

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Density functional calculations on electronic circular dichroism spectra of chiral transition metal complexes.
Jochen Autschbach, Francisco E Jorge, Tom Ziegler

Inorg Chem· May 2003

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Universal basis sets for low-lying excited states of some positive and negative ions.
F E Jorge, C L Barros

Comput Chem· June 2002

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