A General Picture of Cucurbit[8]uril Host-Guest Binding: Recalibrating Bonded Interactions
Sun, Zhaoxi, He, Qiaole, Gong, Zhihao, Kalhor, Payam, Huai, Zhe, Liu, Zhirong
Published in Molecules (Basel, Switzerland) (31.03.2023)
Published in Molecules (Basel, Switzerland) (31.03.2023)
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Journal Article
Molecular modelling of ionic liquids: General guidelines on fixed-charge force fields for balanced descriptions
Sun, Zhaoxi, Gong, Zhihao, Zheng, Lei, Kalhor, Payam, Huai, Zhe, Liu, Zhirong
Published in Journal of ionic liquids (01.12.2022)
Published in Journal of ionic liquids (01.12.2022)
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Journal Article
Spectroscopic and Computational Study of ZnCl2–Methanol Low-Melting-Temperature Mixtures
Kalhor, Payam, Sun, Zhaoxi, Yu, Zhiwu
Published in The journal of physical chemistry. B (14.03.2024)
Published in The journal of physical chemistry. B (14.03.2024)
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Journal Article
Spectroscopic and Computational Study of ZnCl 2 -Methanol Low-Melting-Temperature Mixtures
Kalhor, Payam, Sun, Zhaoxi, Yu, Zhiwu
Published in The journal of physical chemistry. B (14.03.2024)
Published in The journal of physical chemistry. B (14.03.2024)
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Journal Article
Functional Material Systems Enabled by Automated Data Extraction and Machine Learning
Kalhor, Payam, Jung, Nicole, Bräse, Stefan, Wöll, Christof, Tsotsalas, Manuel, Friederich, Pascal
Published in Advanced functional materials (01.05.2024)
Published in Advanced functional materials (01.05.2024)
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Journal Article
Quantum chemical calculations on dissolution of dimethylformamide in ethaline
Kalhor, Payam, Yarivand, Ommolbanin, Seifpanahi-Shabani, Kumars
Published in Journal of molecular graphics & modelling (01.09.2021)
Published in Journal of molecular graphics & modelling (01.09.2021)
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Journal Article
Is the Fourier Transform Infrared Free-OH Band of t‑Butanol Only from Free OHs? Case Studies on the Binary Systems of the Alcohol with CCl4 and CHCl3
Kalhor, Payam, Li, Qing-Zhong, Zheng, Yan-Zhen, Yu, Zhi-Wu
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.07.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.07.2020)
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Journal Article
Accurate modelling of pyrrolidinium ionic liquids with charge and vdW scaling
Sun, Zhaoxi, Liu, Xiao, Zheng, Lei, Cheng, Tong, Kalhor, Payam, Huai, Zhe, He, Qiaole, Li, Yang
Published in Journal of molecular liquids (15.09.2023)
Published in Journal of molecular liquids (15.09.2023)
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Journal Article
Is the Fourier Transform Infrared Free-OH Band of t -Butanol Only from Free OHs? Case Studies on the Binary Systems of the Alcohol with CCl 4 and CHCl 3
Kalhor, Payam, Li, Qing-Zhong, Zheng, Yan-Zhen, Yu, Zhi-Wu
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.07.2020)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.07.2020)
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Journal Article