Computer simulation and study of the IR spectra of irradiated polymer materials; IOP Conference Series: Materials Science and Engineering; Vol. 110 : Radiation-Thermal Effects and Processes in Inorganic Materials (RTEP2015)

Computer simulation and study of the IR spectra of irradiated polymer materials; IOP Conference Series: Materials Science and Engineering; Vol. 110 : Radiation-Thermal Effects and Processes in Inorganic Materials (RTEP2015)

Podrobná bibliografie
Parent link:	IOP Conference Series: Materials Science and Engineering Vol. 110 : Radiation-Thermal Effects and Processes in Inorganic Materials (RTEP2015).— 2016.— [012038, 5 p.]
Korporativní autor:	Национальный исследовательский Томский политехнический университет (ТПУ) Институт неразрушающего контроля (ИНК) Проблемная научно-исследовательская лаборатория электроники, диэлектриков и полупроводников (ПНИЛ ЭДиП)
Další autoři:	Gabdrakipov V. Z., Kupchishin A. A., Kupchishin A. I. Anatoliy Ivanovich, Tlebaev K. B., Gyngazov V. A. Vladimir Anatolievich
Shrnutí:	Title screen Within the framework of MDDP the calculations of IR spectra have been performed for the initial polyethylene terephthalate (PET) and its state with the cation which satisfactorily describing experimental data. The calculations were made using the MDDP (modified neglect of diatomic differential overlap), implemented in the program MOPAC 2012. A feature of the method is that the overlap integrals are replaced by the [delta]-function, single-site Coulomb and exchange integrals are calculated by atomic parameters Slater-Condon. In recent years the studies of the structure and physico-chemical properties of polyethylene terephthalate and composites made on it basis have got the intensive development. Comparison of calculations with experimental data gives their satisfactory agreement. Режим доступа: по договору с организацией-держателем ресурса
Jazyk:	angličtina
Vydáno:	2016
Témata:	электронный ресурс труды учёных ТПУ компьютерное моделирование ИК-спектры облученные материалы полимерные материалы покрытия композиционные материалы
On-line přístup:	http://dx.doi.org/10.1088/1757-899X/110/1/012038 http://earchive.tpu.ru/handle/11683/18066
Médium:	Elektronický zdroj Kapitola
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=647008

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