Zobrazeno 1 - 1
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pro vyhledávání: '"Adalberto V. Sanches de Araújo"'
Publikováno v:
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Universidade de São Paulo (USP)
instacron:USP
TDDFT and XMS-CASPT2 methods were applied to simulate the vibronic and resonance Raman (RR) spectra of a push–pull model system, 4-nitroaniline (pNA) and its anion ([pNA]−), within the Independent Mode Displaced Harmonic Oscillator (IMDHO) model.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::096a9b43e15d5a0c4538521e3a71fb63
