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Data of the publication: Determination of Aqueous Solubility of NaCl in Molecular Dynamics Simulation using the Kirkwood-Buff Method ...

• Authors : Chattopadhyay, Abhishek; Mandalaparthy, Varun; van der Vegt, Nico

Subjects: Molecular Dynamics Simulation, Solubility, Kirkwood-Buff Theory, Ion Paring; Force Field; 3.13-01 Physikalische Chemie von Molekülen, Flüssigkeiten und Grenzflächen, Biophysikalische Chemie540

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Determining the properties of CaO-Al2O3-SiO2 slags from molecular dynamics simulation

• Authors : Zhu, Mengyi; Safarian, Jafar

Subjects: Slag; Properties; Structure

• Source: MOLTEN2024, 12th International Conference on Molten Slags, Fluxes and Salts, Brisbane, Australia, 17-19 June 2024

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Model construction and property study of poly (ether-ether-ketone) by molecular dynamics simulation with meta-modeling methods

• Authors : Hu, Chenxi; Chen, Liming; Li, Zhongqi

Subjects: Naturwissenschaften; Sonstiges

• Source: Hu, Chenxi, Chen, Liming, Li, Zhongqi, Yu, Yan: Model construction and property study of poly (ether-ether-ketone) by molecular dynamics

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Molecular dynamics simulation of the interaction between polybutylene terephthalate and A3 during thermal-oxidative aging

• Authors : Kong, Lingze; Sun, Weiqi; Zhao, Hongqiang

Subjects: Naturwissenschaften; Sonstiges

• Source: Kong, Lingze, Sun, Weiqi, Zhao, Hongqiang, Zhou, Wei, Guo, Feng, Zhou, Bin, Shi, Yumin, Li, Li, Li, Kun, Zhong, Ruiqi: Molecular dynamics

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Moisture Absorbing Properties of Alkylbenzenes with Experiment and Molecular Dynamics Simulation Calculation

• Authors : Liu, Zhifeng; Zhou, Shangming; Liao, Jianping

• Source: Journal of Physics: Conference Series ; volume 2941, issue 1, page 012003 ; ISSN 1742-6588 1742-6596

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Evaluation of mutations on O 6 -methylguanine methyl transferase structure and its interactions: molecular dynamics simulation study

• Authors : Marzieh Gharouni; Hamid Mosaddeghi

Subjects: Biophysics; Biochemistry; Molecular Biology

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Molecular dynamics simulation study on the binding mechanism between carbon nanotubes and RNA-dependent RNA polymerase

• Authors : Zhaopeng Ma; Jianqiang Xu; Chenchen Wang

Subjects: Biophysics; Biochemistry; Medicine

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Flavor Characteristics of Umami Peptides from Wuding Chicken Revealed by Molecular Dynamics Simulation

• Authors : Rong Jia; Yuan Yang; Guozhou Liao

Subjects: Biophysics; Biochemistry; Medicine

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Mechanistic Study on the Effect of Solvents on Polymorphic Transformation of Aripiprazole by Solvent Property Parameters and Molecular Dynamics Simulation

• Authors : Zhixin Zheng; Xin Huang; Na Wang

Subjects: Biophysics; Biochemistry; Sociology

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A prediction of interfacial tension by using molecular dynamics simulation: A study on effects of cushion gas (CO2, N2 and CH4) for underground hydrogen storage

• Authors : Doan, Quoc T.; Keshavarz, Alireza; Miranda, Caetano R.

Subjects: [RSTDPub]; Carbon Capture and Storage (CCS); Cushion gas

• Source: Research outputs 2022 to 2026

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