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Universidade Federal Rural do Rio de Janeiro · Departamento de Química Fundamental

Quantum Chemistry of Magnetism & Molecular Materials

Publication

The Weak Visible n → π* Transition of CF3NO: Vertical Accuracy versus Spectral Agreement

Published in ACS Omega on 9 October 2026.

Gabrielly da S. Hage; Pedro Henrique R. de Oliveira; Glaucio B. Ferreira; Henrique C. Silva Junior.

A computational study of the weak visible n → π* transition of CF₃NO, treating the vertical excitation energy, the 0–0 transition and the vibronic absorption band as distinct observables.

Corresponding author: Henrique C. Silva Junior, UFRRJ. Open access under a CC BY 4.0 licence.

Read the article — DOI: 10.1021/acsomega.6c11480

Authors
Gabrielly da S. Hage; Pedro Henrique R. de Oliveira; Glaucio B. Ferreira; Henrique C. Silva Junior
Journal
ACS Omega · 2026
DOI
10.1021/acsomega.6c11480