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Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane
Huix-Rotllant, Miquel, Natarajan, Bhaarathi, Ipatov, Andrei, Muhavini Wawire, C., Deutsch, Thierry, Casida, Mark E.Volume:
12
Year:
2010
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/c0cp00273a
File:
PDF, 2.16 MB
english, 2010