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ACS Omega|May 18, 2026
Solvent Polarity as a Selective Modulator of the First Hyperpolarizability in Para-Substituted Azo-Carbazole DyesMurilo B M Ferreira, Herbert C Georg, Marcos A Castro, et al.
The Journal of Chemical Physics|March 9, 2021
Applicability of DFT functionals for evaluating the first hyperpolarizability of phenol blue in solutionIdney Brandão, Tertius L Fonseca, Leandro R Franco, et al.
The Journal of Chemical Physics|November 23, 2017
Confirming the relationship between first hyperpolarizability and the bond length alternation coordinate for merocyanine dyesIdney Brandão, Leandro R Franco, Tertius L Fonseca, et al.
The Journal of Physical Chemistry. A|September 15, 2009
NMR chemical shielding and spin-spin coupling constants of liquid NH3: a systematic investigation using the sequential QM/MM methodRodrigo M Gester, Herbert C Georg, Sylvio Canuto, et al.
Physical Chemistry Chemical Physics : PCCP|July 22, 2020
Assessing the structure and first hyperpolarizability of Li@B<sub>10</sub>H<sub>14</sub> in solution: a sequential QM/MM study using the ASEC-FEG methodIdney Brandão, Tertius L Fonseca, Herbert C Georg, et al.
The Journal of Physical Chemistry. A|July 22, 2014
Monte Carlo-quantum mechanics study of magnetic properties of hydrogen peroxide in liquid waterMaría Cristina Caputo, Patricio F Provasi, Lucía Benitez, et al.
The Journal of Chemical Physics|January 15, 2018
Zwitterionization of glycine in water environment: Stabilization mechanism and NMR spectral signaturesDanillo Valverde, Zélia Maria da Costa Ludwig, Célia Regina da Costa, et al.
Journal of Computational Chemistry|February 4, 2010
Thermodynamic stability of hydrogen-bonded systems in polar and nonpolar environmentsHasan Pasalić, Adélia J A Aquino, Daniel Tunega, et al.
ACS Omega|October 7, 2024
Elucidating the Photophysics and Nonlinear Optical Properties of a Novel Azo Prototype for Possible Photonic Applications: A Quantum Chemical AnalysisSàvio Fonseca, Neidy S S Dos Santos, Herbert C Georg, et al.
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