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ArticleName
Alkyl hydroxamic acids molecular models and molecular orbitals
ArticleAuthors
Solozhenkin P. М., Solozhenkin О. I.
ArticleAuthorsData
Solozhenkin Petr Mikhaylovich, Senior Researcher, solozhenkin@mail.ru, Research Institute of Comprehensive Exploitation of Mineral Resources RAS (Russia); Solozhenkin Oleg Igorevich, Student, oleg.solozhenkin@gmail.ru, Institute of Bioorganic Chemistry, RAS (Russia).
Abstract
Alkyl hydroxamic acids three-dimensional molecular models are constructed. Main parameters of total steric bonding energy, charge distribution on separate atoms, Van der Waals interaction and dipole interaction were determined by means of computer software. Molecular orbitals are constructed, and their energy levels are calculated. Use of physicochemical pre-sentation and computer-aided design is a promising trend in selection and application of more effective reagents with a view to solve problems related to ores all-round utilization.
keywords
Molecular models, flotation reagents, computer-aided design, charge distribution.
References

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Language of full-text
russian
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