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Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method.
Hens R, Rahbari A, Caro-Ortiz S, Dawass N, Erdős M, Poursaeidesfahani A, Salehi HS, Celebi AT, Ramdin M, Moultos OA, Dubbeldam D, Vlugt TJH. Hens R, et al. Among authors: rahbari a. J Chem Inf Model. 2020 Jun 22;60(6):2678-2682. doi: 10.1021/acs.jcim.0c00334. Epub 2020 Apr 21. J Chem Inf Model. 2020. PMID: 32275829 Free PMC article.
Adsorption equilibrium of nitrogen dioxide in porous materials.
Matito-Martos I , Rahbari A , Martin-Calvo A , Dubbeldam D , Vlugt TJH , Calero S . Matito-Martos I , et al. Among authors: rahbari a. Phys Chem Chem Phys. 2018 Feb 7;20(6):4189-4199. doi: 10.1039/c7cp08017d. Phys Chem Chem Phys. 2018. PMID: 29362749
Effect of Water Content on Thermodynamic Properties of Compressed Hydrogen.
Rahbari A, Garcia-Navarro JC, Ramdin M, van den Broeke LJP, Moultos OA, Dubbeldam D, Vlugt TJH. Rahbari A, et al. J Chem Eng Data. 2021 May 13;66(5):2071-2087. doi: 10.1021/acs.jced.1c00020. Epub 2021 Apr 9. J Chem Eng Data. 2021. PMID: 34054140 Free PMC article.
The modified TIP4P and Marx force fields were used to improve the solubility calculations of hydrogen-water mixtures reported in our previous study [Rahbari A.;J. Chem. Eng. Data2019, 64, 4103-4115] for temperatures between 323 and 423 K and pressures ranging from 1 …
The modified TIP4P and Marx force fields were used to improve the solubility calculations of hydrogen-water mixtures reported in our previou …
36 results