화학공학소재연구정보센터
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No. Article
1 First hyperpolarizability of isomers of pyridinium N-phenoxide betaine dye in solution using the ASEC-FEG method
Torres EM, Georg HC, Fonseca TL, Castro MA
Chemical Physics Letters, 699, 261, 2018
2 DFT study of third-order nonlinear susceptibility of a chalcone crystal
Valverde C, Osorio FAP, Fonseca TL, Baseia B
Chemical Physics Letters, 706, 170, 2018
3 Electronic and Vibrational Hyperpolarizabilities of Lithium Substituted (Aza)benzenes and (Aza)naphthalenes
Marques S, Castro MA, Leao SA, Fonseca TL
Journal of Physical Chemistry A, 122(37), 7402, 2018
4 Electric properties of the 3-methyl-4-nitropyridine-1-oxyde (POM) molecules in solid phase: A theoretical study including environment polarization effect
Santos OL, Sabino JR, Georg HC, Fonseca TL, Castro MA
Chemical Physics Letters, 669, 176, 2017
5 Second hyperpolarizability of the calcium-doped lithium salt of pyridazine Li-H3C4N2 center dot center dot center dot Ca
Marques S, Castro MA, Leao SA, Fonseca TL
Chemical Physics Letters, 659, 76, 2016
6 Second hyperpolarizabilities of the lithium salt of pyridazine Li-H3C4N2 and lithium salt electride Li-H-3 C4N2 center dot center dot center dot Na-2
Silveira O, Castro MA, Leao SA, Fonseca TL
Chemical Physics Letters, 633, 241, 2015
7 Spectroscopic properties of vitamin E models in solution
Oliveira LBA, Colherinhas G, Fonseca TL, Castro MA
Chemical Physics Letters, 628, 49, 2015
8 Solvent effects on the first hyperpolarizability of retinal derivatives
Junior LA, Colherinhas G, Fonseca TL, Castro MA
Chemical Physics Letters, 598, 43, 2014
9 Vibrational corrections to hyperpolarizabilities of the O-3, SO2, N2O and CO2 molecules: A comparison between variational and perturbation methods
Naves ES, Castro MA, Fonseca TL
Chemical Physics Letters, 608, 130, 2014
10 Electric properties of linear (LiCN)(n) and (LiNC)(n) aggregates: An ab initio study of the lithium bonding effects
Brandao I, Rivelino R, Fonseca TL, Castro MA
Chemical Physics Letters, 612, 84, 2014