Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Ro‐vibrational energy and thermodynamic properties of molecules subjected to Deng–Fan potential through an improved approximationNath, Debraj ; Roy, Amlan K.International journal of quantum chemistry, 2021-05, Vol.121 (10), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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2 |
Material Type: Artigo
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High‐temperature mass spectrometric study of thermodynamic properties in the UO2–ZrO2 systemStolyarova, Valentina L. ; Vorozhtcov, Viktor A. ; Masaki, Kurata ; Costa, DavideRapid communications in mass spectrometry, 2020-10, Vol.34 (19), p.e8862-n/a [Periódico revisado por pares]Bognor Regis: Wiley Subscription Services, IncTexto completo disponível |
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3 |
Material Type: Artigo
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High‐temperature mass spectrometric study of thermodynamic properties in the TiO2–Al2O3–SiO2 system and modelingStolyarova, Valentina L. ; Vorozhtcov, Viktor A. ; Shemchuk, Daria V. ; Shilov, Andrey L. ; Lopatin, Sergey I. ; Almjashev, Vyacheslav I. ; Shuvaeva, Elena B. ; Kirillova, Svetlana A.Rapid communications in mass spectrometry, 2022-10, Vol.36 (19), p.n/a [Periódico revisado por pares]Bognor Regis: Wiley Subscription Services, IncTexto completo disponível |
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4 |
Material Type: Artigo
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Study on macroscopic thermodynamic properties of ClO molecule based on the improved Hulburt–Hirschfelder potential energy functionFan, Qunchao ; Wen, Lin ; Jian, Jun ; Fan, Zhixiang ; Li, Huidong ; Fu, Jia ; Ma, Jie ; Xie, FengInternational journal of quantum chemistry, 2023-03, Vol.123 (6), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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5 |
Material Type: Artigo
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Structures, electronic and thermodynamic properties of NiB2n (n = 7–11) and their anions: A theoretical studyLi, Chenggang ; Cui, Yingqi ; Tian, Hao ; Shao, Qinqin ; Zhang, Jie ; Shen, Zigang ; Ren, BaozengInternational journal of quantum chemistry, 2022-08, Vol.122 (16), p.n/a [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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6 |
Material Type: Artigo
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First-Principles Calculations of Phonons and Thermodynamic Properties of Zr(Hf)S 2 -Based NanotubesDomnin, Anton V ; Bandura, Andrei V ; Evarestov, Robert AJournal of computational chemistry, 2020-03, Vol.41 (8), p.759-768 [Periódico revisado por pares]United StatesTexto completo disponível |
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7 |
Material Type: Artigo
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Thermodynamic Properties of the Isomers of [HNOS], [HNO2S], and [HNOS2] and the Role of the Central SulfurMéndez, Mariano ; Francisco, Joseph S. ; Dixon, David A.Chemistry : a European journal, 2014-08, Vol.20 (33), p.10231-10235 [Periódico revisado por pares]Weinheim: WILEY-VCH VerlagTexto completo disponível |
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8 |
Material Type: Artigo
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Crystal structure, thermodynamic properties and detonation characterization of bis(5‐amino‐1,2,4‐triazol‐3‐yl)methaneLi, Hongya ; Yan, Biao ; Ma, Haixia ; Sun, Zhiyong ; Ma, Yajun ; Zhang, ZhifangActa crystallographica. Section C, Crystal structure communications, 2020-01, Vol.76 (1), p.64-68 [Periódico revisado por pares]5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of CrystallographyTexto completo disponível |
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9 |
Material Type: Artigo
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Structure–Thermodynamic‐Property Relationships in Cyanovinyl‐Based Microporous Polymer Networks for the Future Design of Advanced Carbon Capture MaterialsYassin, Ali ; Trunk, Matthias ; Czerny, Frank ; Fayon, Pierre ; Trewin, Abbie ; Schmidt, Johannes ; Thomas, ArneAdvanced functional materials, 2017-07, Vol.27 (26), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
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10 |
Material Type: Artigo
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Application of zone-folding approach to the first-principles estimation of thermodynamic properties of carbon and ZrS2-based nanotubesBandura, Andrei V. ; Porsev, Vitaly V. ; Evarestov, Robert A.Journal of computational chemistry, 2016-03, Vol.37 (7), p.641-652 [Periódico revisado por pares]United States: Blackwell Publishing LtdTexto completo disponível |