Thermodynamics and mechanisms of protonated diglycine decomposition: A computational study

Journal of the American Society for Mass Spectrometry

Volumn 23, Issue 4, 2012, Pages 621-631

  Armentrout, P B ^a   Heaton, Amy L ^a  

^a UNIVERSITY OF UTAH   (United States)

Author keywords

Diglycine; Mechanism; Mobile proton; Protonated peptides; Theoretical calculations

Indexed keywords

BASIS SETS; COMPUTATIONAL STUDIES; DIGLYCINE; FRAGMENTATION REACTIONS; INTERMEDIATE REACTIONS; LOWER ENERGIES; MOBILE PROTONS; OPTIMIZED STRUCTURES; PROTONATED; PROTONATED PEPTIDES; REACTION COORDINATES; SINGLE-POINT ENERGY; THEORETICAL CALCULATIONS; THEORETICAL STRUCTURE; TRANSITION STATE;

CARBON MONOXIDE; MECHANISMS; OPTIMIZATION; PROTONATION; QUANTUM CHEMISTRY; THERMODYNAMICS;

REACTION INTERMEDIATES;

AMMONIA; CARBON MONOXIDE; DIGLYCINE; OXAZOLONE; PIPERAZINEDIONE;

ARTICLE; DECOMPOSITION; DISSOCIATION; FRAGMENTATION REACTION; MATHEMATICAL COMPUTING; PROTON TRANSPORT; THERMODYNAMICS;

GLYCYLGLYCINE; IONS; MODELS, MOLECULAR; PROTONS; TANDEM MASS SPECTROMETRY; THERMODYNAMICS;

EID: 84862518246     PISSN: 10440305     EISSN: 18791123     Source Type: Journal    
DOI: 10.1007/s13361-011-0224-7     Document Type: Article

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