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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 108, 2010 - Issue 5
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Research Articles

Molecular dynamic simulations of terahertz spectra for water-methanol mixtures

Alexander Y. Zasetsky Kurnakov Institute of General and Inorganic Chemistry, RAS, MoscowCorrespondence[email protected]
,
Alexander S. Lileev Kurnakov Institute of General and Inorganic Chemistry, RAS, Moscow
&
Andrey K. Lyashchenko Kurnakov Institute of General and Inorganic Chemistry, RAS, Moscow
Pages 649-656 | Received 26 Oct 2009, Accepted 17 Jan 2010, Published online: 29 Mar 2010

Citations (13)

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Alexander Y. Zasetsky, Andrey K. Lyashchenko & Alexander S. Lileev. (2011) Ion–ion and ion–water aggregations and dielectric response of aqueous solutions of Li2SO4: molecular dynamic simulations study. Molecular Physics 109:6, pages 813-822.
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Articles from other publishers (12)

Yuichi Tanaka, Hirofumi Sato & Hiroshi Nakano. (2024) Computational dielectric spectroscopy on solid–solution interface by time-dependent voltage applied molecular dynamics simulation. The Journal of Chemical Physics 160:14.
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连想 Lian Xiang, 张明浩 Zhang Minghao, 王国阳 Wang Guoyang & 张亮亮 Zhang Liangliang. (2024) 太赫兹液体光子学研究进展（特邀）. Laser & Optoelectronics Progress 61:3, pages 0326001.
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Minghao Zhang, Wen Xiao, Cunlin Zhang & Liangliang Zhang. (2022) Terahertz Kerr Effect of Liquids. Sensors 22:23, pages 9424.
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Hang Zhao, Yong Tan, Rui Zhang, Yuejin Zhao, Cunlin Zhang, Xi-Cheng Zhang & Liangliang Zhang. (2021) Molecular dynamic investigation of ethanol-water mixture by terahertz-induced Kerr effect. Optics Express 29:22, pages 36379.
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Isha Srivastava, Ankit Kotia, Subrata Kumar Ghosh & Mohamed Kamal Ahmed Ali. (2021) Recent advances of molecular dynamics simulations in nanotribology. Journal of Molecular Liquids 335, pages 116154.
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Jordi Ortiz de Urbina & Gemma Sesé. (2020) Orientational dynamics in methanol: Influence of temperature and hydrogen bonding. Journal of Molecular Liquids 301, pages 112374.
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P.P. Kannan, G. Arivazhagan, T. Sangeetha, N.K. Karthick & A.C. Kumbharkhane. (2019) FTIR studies, DFT calculations and time domain reflectometry studies on tetrahydrofuran - methanol binary solutions. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 222, pages 117162.
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P.P. Kannan, N.K. Karthick, A. Mahendraprabu, A.C. Kumbharkhane, Y.S. Joshi & G. Arivazhagan. (2019) FTIR spectroscopy, quantum chemical calculations and time domain reflectometry studies on the behavior of methanol molecules in the environment of dibutyl ether. Journal of Molecular Structure 1183, pages 60-69.
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David Robinson, Derek J. Irvine, John P. Robinson, Edward H. Lester, Samuel W. Kingman & Georgios Dimitrakis. (2019) Predicting the behaviour of near-critical and supercritical alcohols at microwave frequencies: Validation of molecular dynamic simulations as a tool that can substitute for measurements under extreme experimental conditions. The Journal of Supercritical Fluids 146, pages 165-171.
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Javier Cardona, Martin B. Sweatman & Leo Lue. (2018) Molecular Dynamics Investigation of the Influence of the Hydrogen Bond Networks in Ethanol/Water Mixtures on Dielectric Spectra. The Journal of Physical Chemistry B 122:4, pages 1505-1515.
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Wenpeng Qi, Jige Chen, Junwei Yang, Xiaoling Lei, Bo Song & Haiping Fang. (2013) Anisotropic Dielectric Relaxation of the Water Confined in Nanotubes for Terahertz Spectroscopy Studied by Molecular Dynamics Simulations. The Journal of Physical Chemistry B 117:26, pages 7967-7971.
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Alexander Y. Zasetsky, Svetlana V. Petelina, Andrey K. Lyashchenko & Alexander S. Lileev. (2010) Computer simulation study of rotational diffusion in polar liquids of different types. The Journal of Chemical Physics 133:13.
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