Graph theory in structure–property correlations
- 作者: Vinogradova M.G.1, Fedina Y.A.1, Papulov Y.G.1
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隶属关系:
- Tver’ State University
- 期: 卷 90, 编号 2 (2016)
- 页面: 411-416
- 栏目: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/167764
- DOI: https://doi.org/10.1134/S0036024416020345
- ID: 167764
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详细
The possibilities of the theoretical graph approach to the construction and interpretation of additive schemes for calculation and prediction are discussed. Working formulas are derived for calculating the thermodynamic properties of alkanes and their substitutes. The obtained algorithms are used to calculate thermodynamic properties of chloroalkanes that correspond to experimental values.
作者简介
M. Vinogradova
Tver’ State University
编辑信件的主要联系方式.
Email: mgvinog@mail.ru
俄罗斯联邦, Tver’, 170100
Yu. Fedina
Tver’ State University
Email: mgvinog@mail.ru
俄罗斯联邦, Tver’, 170100
Yu. Papulov
Tver’ State University
Email: mgvinog@mail.ru
俄罗斯联邦, Tver’, 170100
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