Linked Life Data

12214320

Source:http://linkedlifedata.com/resource/pubmed/id/12214320

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
14
pubmed:dateCreated
2002-9-5
pubmed:abstractText
This article presents and overviews the CHIMERA program package, which provides a user-friendly graphical interface between quantum chemistry and chemical kinetics programs. CHIMERA facilitates calculations of rate constants for gas-phase reactions using transition state and Rice-Ramsperger-Kassel-Marcus theories. The program includes computational modules for simulation of gas-phase kinetics using simplified reactor models and for computation of chemical equilibria. The review includes a description of the theory implemented in the code, the program description, the general strategy of calculations using CHIMERA, and illustrative examples of the program application.
pubmed:language
eng
pubmed:journal
pubmed:status
PubMed-not-MEDLINE
pubmed:month
Nov
pubmed:issn
0192-8651
pubmed:author
pubmed:copyrightInfo
Copyright 2002 Wiley Periodicals, Inc.
pubmed:issnType
Print
pubmed:day
15
pubmed:volume
23
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
1375-89
pubmed:dateRevised
2003-11-3
pubmed:year
2002
pubmed:articleTitle
CHIMERA: a software tool for reaction rate calculations and kinetics and thermodynamics analysis.
pubmed:affiliation
JSC Soft-Tec, Nakhimovskii prosp. 34, Moscow, 117218 Russia.
pubmed:publicationType
Journal Article