Letter to the Editor: Electronic Data Formats for Open Storage of Published Chemical Kinetic Data

Richard H. West; Gregory R. Magoon

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Letter to the Editor: Electronic Data Formats for Open Storage of Published Chemical Kinetic Data

机译：致编辑的信：用于公开存储已发布的化学动力学数据的电子数据格式

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In support of the Editor's goal of providing open storage of chemical kinetic data published in the International Journal of Chemical Kinetics, we propose the adoption of XML formats from PrIMe (www.primekinetics.org) for species identification and thermochemical data, and of Chemical Markup Language (CML) for three-dimensional molecular geometries. Examples are provided in the online supplemental material of an article in this issue (Snitsiri-wat, S.; Asatryan, R.; Bozzelli, J. W. Int I Chem Kinet 2010, 42, 181-199). We invite the input and assistance of the international chemical kinetics community in developing and refining these standards.

机译：为了支持编辑者提供公开存储在《国际化学动力学杂志》上的化学动力学数据的目标，我们建议采用PrIMe（www.primekinetics.org）的XML格式进行物种识别和热化学数据，以及化学标记三维分子几何的语言（CML）。本期文章的在线补充材料中提供了示例（Snitsiri-wat，S .; Asatryan，R .; Bozzelli，J.W. Int I Chem Kinet 2010，42，181-199）。我们邀请国际化学动力学界为制定和完善这些标准提供投入和帮助。

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《International Journal of Chemical Kinetics》 |2010年第3期|共2页
作者
Richard H. West; Gregory R. Magoon;
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正文语种 eng
中图分类物理化学（理论化学）、化学物理学;
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Letter to the Editor: Electronic Data Formats for Open Storage of Published Chemical Kinetic Data

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