日期 影响因子
日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:
–

Electrochemical CO(2) Reduction in the Presence of SO(2) Impurities on a Nitrogen-Doped Carbon Electrocatalyst

在氮掺杂碳电催化剂上，SO₂杂质存在下CO₂的电化学还原

期刊:Journal of the American Chemical Society
影响因子:15.6
doi:10.1021/jacs.5c11790
Fu, Shilong; Sha, Bowen; Sajeev, Asvin; Li, Ming; Vlugt, Thijs J H; Moultos, Othonas A; de Jong, Wiebren; Kortlever, Ruud
发表日期：2026
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Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions

氢体系的分子模拟：从性质和方法到应用和未来方向

期刊:Chemical Reviews
影响因子:55.8
doi:10.1021/acs.chemrev.5c00617
Rahbari, Ahmadreza; Chakrapani, Thejas Hulikal; Shuang, Fei; Krokidas, Panagiotis; Habibi, Parsa; Lagerweij, V Jelle; Ramdin, Mahinder; Vlugt, Thijs J H; Hajibeygi, Hadi; Dey, Poulumi; Tsimpanogiannis, Ioannis N; Moultos, Othonas A
发表日期：2025
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From Grotthuss Transfer to Conductivity: Machine Learning Molecular Dynamics of Aqueous KOH

从格罗特胡斯转移到电导率：氢氧化钾水溶液的机器学习分子动力学模拟

期刊:Journal of Physical Chemistry B
影响因子:2.9
doi:10.1021/acs.jpcb.5c03199
Lagerweij, V Jelle; Bougueroua, Sana; Habibi, Parsa; Dey, Poulumi; Gaigeot, Marie-Pierre; Moultos, Othonas A; Vlugt, Thijs J H
发表日期：2025
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Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method

利用连续分数阶蒙特卡罗方法计算扩散热力学因子

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.3c01144
Hulikal Chakrapani, Thejas; Hajibeygi, Hadi; Moultos, Othonas A; Vlugt, Thijs J H
发表日期：2024
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Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields

利用非极化力场进行分子模拟，精确计算水溶液电解质的自由能

期刊:Journal of Physical Chemistry Letters
影响因子:4.6
doi:10.1021/acs.jpclett.4c00428
Habibi, Parsa; Polat, H Mert; Blazquez, Samuel; Vega, Carlos; Dey, Poulumi; Vlugt, Thijs J H; Moultos, Othonas A
发表日期：2024
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Mutual Diffusivities of Mixtures of Carbon Dioxide and Hydrogen and Their Solubilities in Brine: Insight from Molecular Simulations

二氧化碳和氢气混合物的互扩散系数及其在盐水中的溶解度：来自分子模拟的启示

期刊:Industrial & Engineering Chemistry Research
影响因子:3.9
doi:10.1021/acs.iecr.4c01078
Hulikal Chakrapani, Thejas; Hajibeygi, Hadi; Moultos, Othonas A; Vlugt, Thijs J H
发表日期：2024
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Diffusivity of CO(2) in H(2)O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement

CO₂在H₂O中的扩散系数：本体和受限条件下的实验研究和分子模拟综述

期刊:Journal of Chemical and Engineering Data
影响因子:2.1
doi:10.1021/acs.jced.3c00778
Polat, H Mert; Coelho, Felipe M; Vlugt, Thijs J H; Mercier Franco, Luís Fernando; Tsimpanogiannis, Ioannis N; Moultos, Othonas A
发表日期：2024
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Solubilities and Self-Diffusion Coefficients of Light n-Alkanes in NaCl Solutions at the Temperature Range (278.15-308.15) K and Pressure Range (1-300) bar and Thermodynamics Properties of Their Corresponding Hydrates at (150-290) K and (1-7000) bar

在温度范围 (278.15-308.15) K 和压力范围 (1-300) bar 下，轻正构烷烃在 NaCl 溶液中的溶解度和自扩散系数，以及在温度范围 (150-290) K 和压力范围 (1-7000) bar 下，其相应水合物的热力学性质

期刊:Journal of Chemical and Engineering Data
影响因子:2.1
doi:10.1021/acs.jced.3c00225
Fang, Bin; Habibi, Parsa; Moultos, Othonas A; Lü, Tao; Ning, Fulong; Vlugt, Thijs J H
发表日期：2024
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Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software

利用自由能和量子化学计算求解化学吸收平衡：方法论、局限性和新的开源软件

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.3c00144
Polat, H Mert; de Meyer, Frédérick; Houriez, Céline; Moultos, Othonas A; Vlugt, Thijs J H
发表日期：2023
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Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property

水溶液电解质电导率的计算：两个表面，一个性质

期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.3c00562
Blazquez, Samuel; Abascal, Jose L F; Lagerweij, Jelle; Habibi, Parsa; Dey, Poulumi; Vlugt, Thijs J H; Moultos, Othonas A; Vega, Carlos
发表日期：2023
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