| 1 |
Semi-empirical methods in RedOx potential calculations of substituted aromatic compounds: Parameterizations, solvation models, approximation by frontier molecular orbital energies
Vakulin IV, Bugaets DV, Zilberg RA, Maistrenko VN
Electrochimica Acta, 294, 423, 2019 |
| 2 |
Separation of binary mixtures based on gamma infinity data using [OMMIM][BF4] ionic liquid and modelling of thermodynamic functions
He ZZ, Miao-Zhang, Ge ML, Jiao YH, Zhao-Mu, Yi YF, Ding FC
Journal of Chemical Thermodynamics, 129, 22, 2019 |
| 3 |
Quantum chemical approach for condensed-phase thermochemistry (V): Development of rigid-body type harmonic solvation model
Tarumi M, Nakai H
Chemical Physics Letters, 700, 149, 2018 |
| 4 |
First principles prediction of aqueous acidities of some benzodiazepine drugs
Ghalami-Choobar B, Ghiami-Shomami A, Asadzadeh-Khanghah S
Chemical Physics Letters, 706, 426, 2018 |
| 5 |
Separation of binary mixtures based on gamma infinity data using [OMMIM][NTf2] ionic liquid and modelling of thermodynamic functions
Chen JY, Kang RX, He ZZ, Miao-Zhang, Ge ML
Journal of Chemical Thermodynamics, 119, 26, 2018 |
| 6 |
Thermodynamics and selectivity of separation based on activity coefficients at infinite dilution of various solutes in ionic liquid [HMMIM][BF4]
He ZZ, Zhai JY, Mu H, Zhang M, Yu Y, Zheng JL, Jiao YH, Ge ML, Wu RX
Journal of Chemical Thermodynamics, 125, 142, 2018 |
| 7 |
On the water structure at hydrophobic interfaces and the roles of water on transition-metal catalyzed reactions: A short review
Zhang XH, Sewell TE, Glatz B, Sarupria S, Getman RB
Catalysis Today, 285, 57, 2017 |
| 8 |
Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules
Ishikawa A, Kamata M, Nakai H
Chemical Physics Letters, 655, 103, 2016 |
| 9 |
Solvation-based modeling vapor pressures of (solvent plus salt) systems with the application of Cox equation
Senol A
Fluid Phase Equilibria, 361, 155, 2014 |
| 10 |
A quantum chemical study of the processes during the evaporation of real-life Diesel fuel droplets
Gun'ko VM, Nasiri R, Sazhin SS, Lemoine F, Grisch F
Fluid Phase Equilibria, 356, 146, 2013 |
