Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane

Miquel Huix-Rotllant, Bhaarathi Natarajan, Andrei Ipatov, C. Muhavini Wawire, Thierry Deutsch, Mark E. Casida
  • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry
  • DOI: 10.1039/c0cp00273a