| 000 | 03411nla2a2200469 4500 | ||
|---|---|---|---|
| 001 | 647008 | ||
| 005 | 20231030040747.0 | ||
| 035 | _a(RuTPU)RU\TPU\network\12145 | ||
| 035 | _aRU\TPU\network\12144 | ||
| 090 | _a647008 | ||
| 100 | _a20160323a2016 k y0engy50 ba | ||
| 101 | 0 | _aeng | |
| 105 | _ay z 100zy | ||
| 135 | _adrgn ---uucaa | ||
| 181 | 0 | _ai | |
| 182 | 0 | _ab | |
| 200 | 1 |
_aComputer simulation and study of the IR spectra of irradiated polymer materials _fV. Z. Gabdrakipov [et al.] |
|
| 203 |
_aText _celectronic |
||
| 300 | _aTitle screen | ||
| 320 | _a[References: 10 tit.] | ||
| 330 | _aWithin 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. | ||
| 333 | _aРежим доступа: по договору с организацией-держателем ресурса | ||
| 461 | 0 |
_0(RuTPU)RU\TPU\network\2008 _tIOP Conference Series: Materials Science and Engineering |
|
| 463 | 0 |
_0(RuTPU)RU\TPU\network\11965 _tVol. 110 : Radiation-Thermal Effects and Processes in Inorganic Materials (RTEP2015) _oInternational Scientific Conference, 31 August to 10 September 2015, Tomsk, Russia _o[proceedings] _v[012038, 5 p.] _d2016 |
|
| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aтруды учёных ТПУ | |
| 610 | 1 | _aкомпьютерное моделирование | |
| 610 | 1 | _aИК-спектры | |
| 610 | 1 | _aоблученные материалы | |
| 610 | 1 | _aполимерные материалы | |
| 610 | 1 | _aпокрытия | |
| 610 | 1 | _aкомпозиционные материалы | |
| 701 | 1 |
_aGabdrakipov _bV. Z. |
|
| 701 | 1 |
_aKupchishin _bA. A. |
|
| 701 | 1 |
_aKupchishin _bA. I. _cPhysicist _cSenior researcher of Tomsk Polytechnic University, Doctor of physical and mathematical sciences _f1945- _gAnatoliy Ivanovich _2stltpush _3(RuTPU)RU\TPU\pers\42085 |
|
| 701 | 1 |
_aTlebaev _bK. B. |
|
| 701 | 1 |
_aGyngazov _bV. A. _cbiologist _cengineer of Tomsk Polytechnic University, candidate of biological sciences _f1961- _gVladimir Anatolievich _2stltpush _3(RuTPU)RU\TPU\pers\36443 |
|
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет (ТПУ) _bИнститут неразрушающего контроля (ИНК) _bПроблемная научно-исследовательская лаборатория электроники, диэлектриков и полупроводников (ПНИЛ ЭДиП) _h194 _2stltpush _3(RuTPU)RU\TPU\col\19033 |
| 801 | 2 |
_aRU _b63413507 _c20191202 _gRCR |
|
| 856 | 4 | _uhttp://dx.doi.org/10.1088/1757-899X/110/1/012038 | |
| 856 | 4 | 0 | _uhttp://earchive.tpu.ru/handle/11683/18066 |
| 942 | _cCF | ||