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- W134926995 abstract "Thermodynamic properties of molecules can be obtained by experiment, by statistical mechanics in conjunction with electronic structure theory, and by empirical rules like group additivity. The latter two methods are briefly reviewed in this chapter. The overview of electronic structure methods is intended for readers less experienced in electronic structure theory and focuses on concepts without going into mathematical details. This is followed by a brief description of group additivity schemes; finally, an overview of databases listing reliable thermochemical data is given." @default.
- W134926995 created "2016-06-24" @default.
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- W134926995 date "2013-01-01" @default.
- W134926995 modified "2023-10-18" @default.
- W134926995 title "Calculation of Molecular Thermochemical Data and Their Availability in Databases" @default.
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- W134926995 doi "https://doi.org/10.1007/978-1-4471-5307-8_20" @default.
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