Reactivity extrapolation from small to large molecular systems via isodesmic reactions for transition states

Journal of Physical Chemistry A

Volumn 108, Issue 48, 2004, Pages 10714-10722

  Knyaze, Vadim D ^a,b  

^a CATHOLIC UNIVERSITY OF AMERICA   (United States)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER HARDWARE; ENTHALPY; EXTRAPOLATION; HALOGENATION; METHANE; REACTION KINETICS;

ISODESMIC REACTIONS; MOLECULAR SYSTEMS; REACTIVITY EXTRAPOLATION; TRANSITION STATES;

MOLECULAR DYNAMICS;

EID: 10444235224     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp046953r     Document Type: Article

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