Matrix isolation, time-resolved IR, and computational study...

Physical Chemistry Chemical Physics 2003 / 2 Vol. 5; Iss. 6

Matrix isolation, time-resolved IR, and computational study of the photochemistry of benzoyl azideDedicated to Professor Dr Z. R. Grabowski and Professor Dr J. Wirz on the occasions of their 75th and 60th birthdays.Electronic supplementary information (ESI) available: Cartesian coordinates and details of the CASSCF/CASPT2 calculations, details of the excited-state calculations on formylnitrene, the full IR spectra, additional results from the TRIR experiments and two tables with results from CASPT2 calculations with different level shifts. See http://www.rsc.org/suppdata/cp/b2/b209775c/

Pritchina, Elena A., Gritsan, Nina P., Maltsev, Alexander, Bally, Thomas, Autrey, Tom, Liu, Yonglin, Wang, Yuhong, Toscano, John P.
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Volume:
5
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/b209775c
Date:
February, 2003
File:
PDF, 289 KB
english, 2003
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