Abstract:
:We demonstrate how the wavelet transform, which is a powerful tool for compression, filtering, and scaling analysis of signals, may be used to separate large- and short-scale electron density features in X-ray diffraction patterns. Wavelets can isolate the electron density associated with delocalized bonds from the much stronger background of highly localized core electrons. The wavelet-processed signals clearly reveal the bond formation and breaking in the early steps of the photoinduced pericyclic ring opening reaction of 1,3-cyclohexadiene, which are not resolved in the bare signal.
journal_name
Proc Natl Acad Sci U S Aauthors
Osipov VA,Kowalewski M,Mukamel Sdoi
10.1073/pnas.1811983115subject
Has Abstractpub_date
2018-10-09 00:00:00pages
10269-10274issue
41eissn
0027-8424issn
1091-6490pii
1811983115journal_volume
115pub_type
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