Density functional theory and RRKM calculations of the gas-phase unimolecular rearrangements of methylfuran and pyran ions before fragmentations

Journal of Mass Spectrometry

Volumn 44, Issue 10, 2009, Pages 1452-1458

  Solano Espinoza, Eduardo A ^a   Vallejo Narváez, Wilmer E ^a  

^a UNIVERSIDAD DE NARIÑO   (Colombia)

Author keywords

C5H5O +; C5H6O + ; B3LYP 6 311G++(3df,3pd) B3LYP 6 31G(d,p); Methylfuran ions; Pyran ions; RRKM

Indexed keywords

[C5H5O]+; B3LYP/6-311G++(3DF,3PD)//B3LYP/6-31G(D,P); METHYLFURAN IONS; PYRAN IONS; RRKM;

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; HYDROGEN; ION SOURCES;

IONS;

2 METHYLFURAN; CARBON; HYDROGEN; PYRAN;

ARTICLE; CHEMICAL BOND; FRAGMENTATION REACTION; ISOMERIZATION; KINETICS; PRIORITY JOURNAL;

FURANS; IONS; MODELS, CHEMICAL; PYRANS; THERMODYNAMICS;

EID: 70349861899     PISSN: 10765174     EISSN: 10969888     Source Type: Journal    
DOI: 10.1002/jms.1629     Document Type: Article

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