Predicting collision-induced dissociation spectra: Semi-empirical calculations as a rapid and effective tool in software-aided mass spectral interpretation

Rapid Communications in Mass Spectrometry

Volumn 28, Issue 10, 2014, Pages 1127-1143

  Wright, Patricia A ^a   Alex, Alexander ^b   Pullen, Frank ^a  

^a UNIVERSITY OF GREENWICH   (United Kingdom)

^b Evenor Consulting Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BOND LENGTH; CARBON; DENSITY FUNCTIONAL THEORY; DISSOCIATION; ELECTROSPRAY IONIZATION; ELONGATION; FORECASTING; MOLECULES; POSITIVE IONS; QUANTUM CHEMISTRY;

AUSTIN MODEL 1; BOND CLEAVAGES; BOND ELONGATION; COLLISION INDUCED DISSOCIATION; DENSITY-FUNCTIONAL-THEORY; DESCRIPTORS; DISSOCIATION PRODUCTS; ELECTRONEGATIVE ATOMS; PRODUCT ION SPECTRA; PROTONATIONS;

PROTONATION;

EID: 84898036897     PISSN: 09514198     EISSN: 10970231     Source Type: Journal    
DOI: 10.1002/rcm.6870     Document Type: Article

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