Search Results - "Radial distribution function"

Stability Analysis of Polymer Flooding-Produced Liquid in Oilfields Based on Molecular Dynamics Simulation.

Huang, Qian¹ (AUTHOR), Shen, Mingming^1,2 (AUTHOR), Mu, Lingyan^2,3 (AUTHOR), Tian, Yuan¹ (AUTHOR), Huang, Huirong^1,2 (AUTHOR), Long, Xueyuan³ (AUTHOR)

Investigation of Compatibility Mechanisms and Diffusion Behavior of Polymer SBS-Modified Asphalt Compatibilizer Using Molecular Dynamics Simulation.

Li, Ning^1,2 (AUTHOR) 15095359727@163.com, Liu, Zhenzheng^1,2 (AUTHOR), Yin, Jiaqi^1,3 (AUTHOR), Zhang, Hai^1,3 (AUTHOR), Dou, Hui^1,2,3 (AUTHOR), Li, Bo^1,3 (AUTHOR)

Multiscale modeling of charge transfer in hole-transporting materials: Linking molecular morphology to charge mobility.

Sanyam¹ (AUTHOR), Mondal, Anirban¹ (AUTHOR) amondal@iitgn.ac.in

Experimental evidence of quantum Drude oscillator behavior in liquids revealed with probabilistic iterative Boltzmann inversion.

Shanks, B. L.^1,2 (AUTHOR) shanks.brennon@uochb.cas.cz, Sullivan, H. W.^2,3 (AUTHOR), Jungwirth, P.¹ (AUTHOR), Hoepfner, M. P.² (AUTHOR) hoepfner@chemeng.utah.edu

Understanding the Adsorption Behavior of Different Crystal Surfaces of Manganese Monoxide to Strontium Nitrate Solutions: A Molecular Dynamics Simulation.

Xiang, Qingwei¹ (AUTHOR), Yu, Xingyu² (AUTHOR), Guo, Kuixiang³ (AUTHOR), Cheng, Chufeng^1,4 (AUTHOR), Yue, Xixiang¹ (AUTHOR), Wang, Jingsong^1,2 (AUTHOR) xhwjs@163.com, Liu, Yaochi^3,4 (AUTHOR)

Unveiling the Dynamics of NO 3 at the Air–Water Interface and in Bulk Water: A Comparative Study with Cl and ClO.

Hu, Yongxia¹ (AUTHOR), Zhou, Ying¹ (AUTHOR), Hadizadeh, Mohammad Hassan¹ (AUTHOR) hadizadeh.mh@sdu.edu.cn, Xu, Fei¹ (AUTHOR) xufei@sdu.edu.cn

Molecular Simulation Study on the Impact of a Cross-Linked Network Structure on the Tensile Mechanical Properties of PBT Substrates.

Huang, Renlong¹ (AUTHOR), Zhao, Kang² (AUTHOR), Cao, Peng³ (AUTHOR), Cao, Liang^1,3 (AUTHOR), Liao, Hongjun^1,2 (AUTHOR), Tang, Xianqiong^1,3 (AUTHOR) tangxq85@xtu.edu.cn

Experimental and Theoretical Study of the Synthesis of a Deep Eutectic Solvent Based on Protonated Caffeine, Ethylene Glycol, and ZnCl 2.

Benavides-Maya, Laura Sofía¹ (AUTHOR), Torres-Perdomo, Manuel Felipe^1,2 (AUTHOR), Ocampo-Carmona, Luz M.¹ (AUTHOR), Echeverry-Vargas, Luver² (AUTHOR) lecheverry@udec.cl

Hydrogen-bond induced non-linear size dependence of lysozyme under the influence of aqueous glyceline.

Sarkar, Ivy Das¹ (AUTHOR), Sil, Arnab² (AUTHOR), Guchhait, Biswajit² (AUTHOR) biswajit.guchhait@snu.edu.in, Das, Suman³ (AUTHOR) sdas6@gitam.edu

Unraveling internal friction in a coarse-grained protein model.

Monago, Carlos¹ (AUTHOR), Torre, J. A. de la¹ (AUTHOR), Delgado-Buscalioni, R.² (AUTHOR), Español, Pep¹ (AUTHOR) pep@fisfun.uned.es

Nanometer‐Ranged Interfacial Interactions of the VRFB‐Cell Electrolyte Species: An Implication of Molecular Dynamics Simulation.

Marahatta, Anant Babu¹ (AUTHOR) abmarahatta@gmail.com, Arunachalam, Arulraj¹ (AUTHOR)

Dissipative Particle Dynamics: Simulation of Chitosan–Citral Microcapsules.

Wu, Wensheng¹ (AUTHOR), Li, Zhiwei^1,2 (AUTHOR) tangqing2013@126.com, Feng, Dachun^2,3 (AUTHOR), Tang, Qing¹ (AUTHOR), Liu, Shuijiao^1,2 (AUTHOR), Lin, Wenjing³ (AUTHOR)

On the complex hydrogen-bond network structural dynamics of liquid methanol: Chains, rings, bifurcations, and lifetimes.

Blach, Sebastian¹ (AUTHOR) sebastian.blach@rub.de, Forbert, Harald² (AUTHOR), Marx, Dominik¹ (AUTHOR)

Numerical methods for unraveling inter-particle potentials in colloidal suspensions: A comparative study for two-dimensional suspensions.

Rees-Zimmerman, Clare R.¹ (AUTHOR), Martín-Roca, José² (AUTHOR), Evans, David³ (AUTHOR), Miller, Mark A.³ (AUTHOR), Aarts, Dirk G. A. L.¹ (AUTHOR), Valeriani, Chantal² (AUTHOR) cvaleriani@ucm.es

Study on the mechanism of decomposition of methane hydrate by the compound inhibitor.

Zhao, Jin¹ (AUTHOR) 1642476193@qq.com, Wang, Zonghang¹ (AUTHOR) 1369045169@qq.com, Zhao, Shanqing¹ (AUTHOR), Ye, Hengdong¹ (AUTHOR), Shen, Kaixiang^2,3 (AUTHOR)

The stability and self-assembly of tri-calcium silicate and hydroxyapatite scaffolds in bone tissue engineering applications.

Beheshtizadeh, Nima^1,2 (AUTHOR) n.beheshtizadeh@tbzmed.ac.ir, Seraji, Amir Abbas^3,4 (AUTHOR), Azadpour, Behnam⁵ (AUTHOR), Rezvantalab, Sima⁶ (AUTHOR) s.rezvantalab@uut.ac.ir

Study on molecular mechanism of polyoxyethylene to prevent coal and rock and gas composite dynamic disasters.

Bai, Xuyang¹ (AUTHOR), Zhang, Junwen¹ (AUTHOR) zhangjw@cumtb.edu.cn, Guo, HaiXiang² (AUTHOR), Song, Zhixiang¹ (AUTHOR), Zhang, Yang¹ (AUTHOR), Dong, Xukai¹ (AUTHOR), Wu, Shaokang¹ (AUTHOR)

Thermodynamic and Electrochemical Characterization of Nd* (III) Ion Diffusion in (LiF-CaF 2)-Nd 2 O 3 Molten Salts.

Sun, Kailei¹ (AUTHOR) skl0323@163.com, Luo, Linsheng¹ (AUTHOR), Wang, Xu¹ (AUTHOR) wx730313@163.com

Influence of Deep Eutectic Solvent Composition on Micelle Properties: A Molecular Dynamics Study.

Voroshylova, Iuliia V.¹ (AUTHOR) elisabete.ferreira@fc.up.pt, Ferreira, Elisabete S. C.¹ (AUTHOR), Cordeiro, M. Natália D. S.¹ (AUTHOR)

Biodegradable Tenebrio molitor antifreeze protein modified kinetic hydrate inhibitor: Insights into molecular interactions and structural flexibility.

Zhang, Nan¹ (AUTHOR), Huang, Hui-Yi¹ (AUTHOR), Li, Yan-Nan¹ (AUTHOR) pyljj@imu.edu.cn, Zhang, Li-Rong¹ (AUTHOR), Liu, Jun-Jie¹ (AUTHOR)