Irikura, K.
(1999),
Extracting Thermochemical Information From Ab Initio Data, Extracting Thermochemical Information From Ab Initio Data
(Accessed October 13, 2025)
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Extracting Thermochemical Information From Ab Initio Data
Published
Author(s)
Abstract
These are two lectures delivered at the NATO ASI on Energetics of Stable Molecules and Reactive Intermediates, Castelo Branco, Portugal, July 1998. They have been lightly edited and converted to HTML for electronic publication. Text for review is at the following URL:http://www-i.nist.gov/cstl/div838/group_06/irikura/nato_asi_1/index.htmCitation
Extracting Thermochemical Information From Ab Initio Data
Pub Type
Others
Keywords
computational chemistry, homodesmic, isodesmic, isogyric, quantum chemistry, thermochemistry
Citation
Issues
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Created November 1, 1999, Updated February 17, 2017