Chiroptical properties of streptorubin B – the synergy between theory and experiment. - Lobo, Ana, S.; Andrade, Marta S.; Silva, Vanessa S.; Lourenco, Ana M.; Rzepa, Henry S. (Zenodo, 2015)
Computational analysis of the calculated and measured optical rotation (OR) together with other calculated chiroptical properties such as electronic circular dichroism (ECD) and vibrational circular dichroism (VCD) of the prodigiosin alkaloid streptorubin B
Keywords: cc0-1.0; prodigiosins; streptorubin B; atropisomers; pseudoenantiomers; chiroptical properties; ORP; ECD; VCD; TDDFT