| 000 | 03957nla2a2200505 4500 | ||
|---|---|---|---|
| 001 | 648406 | ||
| 005 | 20231030040836.0 | ||
| 035 | _a(RuTPU)RU\TPU\network\13563 | ||
| 035 | _aRU\TPU\network\13560 | ||
| 090 | _a648406 | ||
| 100 | _a20160519a2016 k y0engy50 ba | ||
| 101 | 0 | _aeng | |
| 102 | _aGB | ||
| 105 | _ay z 100zy | ||
| 135 | _adrcn ---uucaa | ||
| 181 | 0 | _ai | |
| 182 | 0 | _ab | |
| 200 | 1 |
_aQuantum chemical study of the structure and properties of isotopically pure lead chalcogenides _fO. Kh. Poleshchuk [et al.] |
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| 203 |
_aText _celectronic |
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| 300 | _aTitle screen | ||
| 320 | _a[References: 20 tit.] | ||
| 330 | _aIn the present work the theoretical methods B3LYP/SDD, GGA and BP86/TZ2P were used for quantum-chemical calculations of lead chalcogenides. It is shown that these levels of theory are applicable for assessment of their geometric parameters, Raman and IR spectra and thermodynamic characteristics. It is shown that there are correlations between the experimental and calculated characteristics of lead sulphide, selenide and telluride. The influence of different isotopes of lead, sulphur, selenium and tellurium on the thermodynamic parameters and the Raman spectra for the lead chalcogenides is shown. | ||
| 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\13547 _tVol. 112 : Fundamental Aspects of Rare-earth Elements Mining and Separation and Modern Materials Engineering (REES-2015) _o2nd International Symposium, 7–15 September 2015, Belokuriha, Russia _o[proceedings] _v[012022, 9 p.] _d2016 |
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| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aтруды учёных ТПУ | |
| 610 | 1 | _aквантохимические исследования | |
| 610 | 1 | _aквантово-химические расчеты | |
| 610 | 1 | _aсвинец | |
| 610 | 1 | _aсульфид цинка | |
| 610 | 1 | _aселениды | |
| 610 | 1 | _aтеллуриды | |
| 610 | 1 | _aкомбинационное рассеяние | |
| 610 | 1 | _aхалькогениды свинца | |
| 701 | 1 |
_aPoleshchuk _bO. Kh. _cchemist _cProfessor-consultant of Yurga technological Institute of Tomsk Polytechnic University, Doctor of chemical sciences _f1947- _gOleg Khemovich _2stltpush _3(RuTPU)RU\TPU\pers\31825 |
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| 701 | 1 |
_aEgorov _bN. B. _cchemical engineer _cAssociate Professor of Tomsk Polytechnic University, Candidate of chemical science _f1974- _gNikolai Borisovich _2stltpush _3(RuTPU)RU\TPU\pers\31207 |
|
| 701 | 1 |
_aAkimov _bD. V. _cChemical Engineer _cEngineer of Tomsk Polytechnic University, Postgraduate _f1988- _gDmitry Vasilievich _2stltpush _3(RuTPU)RU\TPU\pers\32661 |
|
| 701 | 1 |
_aZherin _bI. I. _cRussian chemist _cProfessor of Tomsk Polytechnic University, Doctor of сhemical sciences (DSc) _f1955- _gIvan Ignatyevich _2stltpush _3(RuTPU)RU\TPU\pers\29849 |
|
| 701 | 1 |
_aZhuravlev _bN. A. |
|
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет (ТПУ) _bФизико-технический институт (ФТИ) _bКафедра химической технологии редких, рассеянных и радиоактивных элементов (№ 43) (ХТРЭ) _h56 _2stltpush _3(RuTPU)RU\TPU\col\18733 |
| 712 | 0 | 2 |
_aНациональный исследовательский Томский политехнический университет (ТПУ) _bЮргинский технологический институт (филиал) (ЮТИ) _bКафедра естественного научного образования (ЕНО) _h7134 _2stltpush _3(RuTPU)RU\TPU\col\18894 |
| 801 | 2 |
_aRU _b63413507 _c20160519 _gRCR |
|
| 856 | 4 | _uhttp://dx.doi.org/10.1088/1757-899X/112/1/012022 | |
| 942 | _cCF | ||