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"DFT and MP2 molecular orbital determination of OH-toluene-O2 isomeric ..."

Isidoro García-Cruz, Miguel Castro, Annik Vivier Bunge (2000)

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DOI: 10.1002/(SICI)1096-987X(20000715)21:9<716::AID-JCC2>3.0.CO;2-H

access: closed

type: Journal Article

metadata version: 2020-04-01

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Isidoro García-Cruz, Miguel Castro, Annik Vivier Bunge:
DFT and MP2 molecular orbital determination of OH-toluene-O2 isomeric structures in the atmospheric oxidation of toluene. J. Comput. Chem. 21(9): 716-730 (2000)

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