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Прогнозирование энтальпий образования полициклических ароматических углеводородов в конденсированном состоянии

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2013 Russian Publisher:Государственное образовательное учреждение высшего профессионального образования «Волгоградский государственный технический университет»Journal:Известия Волгоградского государственного технического университета (issn: 1990-5297, Copyright policy )

Прогнозирование энтальпий образования полициклических ароматических углеводородов в конденсированном состоянии

Abstract

С помощью рм3-метода и уравнения линейной регрессии рассчитаны энтальпии образования более пятидесяти полициклических ароматических углеводородов в кристаллическом состоянии.

By means of the PM3-method and the equation of linear regression equations enthalpies more than fifty polycyclic aromatic hydrocarbons in a crystalline state are calculated.

Keywords

ЭНТАЛЬПИЯ ОБРАЗОВАНИЯ, КРИСТАЛЛИЧЕСКОЕ СОСТОЯНИЕ, ПОЛУЭМПИРИЧЕСКИЙ КВАНТОВО-ХИМИЧЕСКИЙ МЕТОД, ПОЛИЦИКЛИЧЕСКИЕ АРОМАТИЧЕСКИЕ УГЛЕВОДОРОДЫ, ПРОГНОЗИРОВАНИЕ

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
gold