Molecular mechanics calculations on cobalt phthalocyanine dimers
نویسندگان
چکیده
منابع مشابه
Molecular 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: Journal of Molecular Structure: THEOCHEM
سال: 1995
ISSN: 0166-1280
DOI: 10.1016/0166-1280(94)03965-n