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Use of bond orders and valences for the description and prediction of primary fragmentation processes
Author(s) -
Somogyi Árpád,
Gömöry Ágnes,
Vékey Károly,
Tamás József
Publication year - 1991
Publication title -
organic mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 0030-493X
DOI - 10.1002/oms.1210261104
Subject(s) - fragmentation (computing) , wave function , quantum , statistical physics , physics , bond , theoretical physics , quantum mechanics , computer science , economics , operating system , finance
Some approaches and examples are shown to demonstrate the usefulness of inherently ‘classical’ parameters, such as bond orders and valences derivable from quantum mechanical wavefunctions, in the description and prediction of mass spectral primary fragmentation processes.