Artigos Publicados
Encontrados 4 resultados
Filtros: Autor é Fonseca, Tertius L. [Limpar todos os filtros]
A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water. Theoretical Chemistry Accounts. 131(5)
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2012. A sequential MC/TD-DFT study of the solvatochromic shift of the pyridinium-N-phenoxide betaine dye in water using standard and long-range corrected functionals. Chemical Physics Letters. 514(4-6):251-256.
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2011. Hydrogen bond interactions between acetone and supercritical water. Physical Chemistry Chemical Physics. 12(25):6660.
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2010. Hyperpolarizabilities of the methanol molecule: A CCSD calculation including vibrational corrections. The Journal of Chemical Physics. 132(3):034307.
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2010.