On Certain Heats of Dilution
نویسندگان
چکیده
منابع مشابه
On the Heats of Formation of Alkanes1
A broad diverse test set of alkanes and cycloalkanes previously studied with MM4 calculations has had the heats of formation calculated by several different quantum mechanical methods: HartreeFock, MP2, and MP4, and also by B3LYP and B3LYP + dispersion energy. Overall, three computational methods (MM4, MP4, and B3LYP + dispersion) yield results that are generally of experimental accuracy. These...
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15 صفحه اولA Note on Artinianess of Certain Generalized
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متن کاملMolecular mechanics calculations on carbonyl compounds. IV. Heats of formation
Molecular mechanics (MM4) calculations on the heats of formation of aldehydes and ketones were carried out for a total of 59 compounds (10 aldehydes and 49 ketones). Optimization of the heat of formation parameters was obtained by a least squares fit to the experimentally known heats of formation. With the optimized MM4 heat of formation parameters, the MM4 calculated heats of formation showed ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry
سال: 1905
ISSN: 0092-7325,1541-5740
DOI: 10.1021/j150065a002