Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions CM Hsieh, SI Sandler, ST Lin Fluid Phase Equilibria 297 (1), 90-97, 2010 | 308 | 2010 |
A benchmark open-source implementation of COSMO-SAC IH Bell, E Mickoleit, CM Hsieh, ST Lin, J Vrabec, C Breitkopf, A Jäger Journal of chemical theory and computation 16 (4), 2635-2646, 2020 | 89 | 2020 |
Comprehensive assessment of COSMO-SAC models for predictions of fluid-phase equilibria R Fingerhut, WL Chen, A Schedemann, W Cordes, J Rarey, CM Hsieh, ... Industrial & Engineering Chemistry Research 56 (35), 9868-9884, 2017 | 76 | 2017 |
Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behavior CM Hsieh, ST Lin, J Vrabec Fluid Phase Equilibria 367, 109-116, 2014 | 72 | 2014 |
A critical evaluation on the performance of COSMO-SAC models for vapor–liquid and liquid–liquid equilibrium predictions based on different quantum chemical calculations WL Chen, CM Hsieh, L Yang, CC Hsu, ST Lin Industrial & Engineering Chemistry Research 55 (34), 9312-9322, 2016 | 60 | 2016 |
A predictive model for the solubility and octanol−water partition coefficient of pharmaceuticals CM Hsieh, S Wang, ST Lin, SI Sandler Journal of Chemical & Engineering Data 56 (4), 936-945, 2011 | 58 | 2011 |
First-principles predictions of vapor−liquid equilibria for pure and mixture fluids from the combined use of cubic equations of state and solvation calculations CM Hsieh, ST Lin Industrial & engineering chemistry research 48 (6), 3197-3205, 2009 | 57 | 2009 |
Determination of cubic equation of state parameters for pure fluids from first principle solvation calculations CM Hsieh, ST Lin AIChE journal 54 (8), 2174-2181, 2008 | 52 | 2008 |
Rapid determination of entropy and free energy of mixtures from molecular dynamics simulations with the two-phase thermodynamic model PK Lai, CM Hsieh, ST Lin Physical Chemistry Chemical Physics 14 (43), 15206-15213, 2012 | 46 | 2012 |
Prediction of liquid–liquid equilibrium from the Peng–Robinson+COSMOSAC equation of state CM Hsieh, ST Lin Chemical Engineering Science 65 (6), 1955-1963, 2010 | 41 | 2010 |
Efficient and accurate solvation energy calculation from polarizable continuum models ST Lin, CM Hsieh The Journal of chemical physics 125 (12), 2006 | 39 | 2006 |
Measurement and modeling of solubility of gliclazide (hypoglycemic drug) and captopril (antihypertension drug) in supercritical carbon dioxide SW Wang, SY Chang, CM Hsieh The Journal of Supercritical Fluids 174, 105244, 2021 | 37 | 2021 |
Solvation and chemical engineering thermodynamics ST Lin, CM Hsieh, MT Lee Journal of the Chinese Institute of Chemical Engineers 38 (5-6), 467-476, 2007 | 37 | 2007 |
Measurement and modeling of metoclopramide hydrochloride (anti-emetic drug) solubility in supercritical carbon dioxide G Sodeifian, CM Hsieh, R Derakhsheshpour, YM Chen, F Razmimanesh Arabian Journal of Chemistry 15 (7), 103876, 2022 | 36 | 2022 |
Prediction of 1-octanol–water partition coefficient and infinite dilution activity coefficient in water from the PR+ COSMOSAC model CM Hsieh, ST Lin Fluid phase equilibria 285 (1-2), 8-14, 2009 | 34 | 2009 |
First-principles study of lithium intercalation and diffusion in oxygen-defective titanium dioxide HL Yeh, SH Tai, CM Hsieh, BK Chang The Journal of Physical Chemistry C 122 (34), 19447-19454, 2018 | 32 | 2018 |
Vapor–liquid equilibrium measurements of the binary mixtures CO2 + acetone and CO2 + pentanones CM Hsieh, J Vrabec The Journal of Supercritical Fluids 100, 160-166, 2015 | 30 | 2015 |
Prediction of miscibility gaps in water/ether mixtures using COSMO-SAC model ST Lin, LH Wang, WL Chen, PK Lai, CM Hsieh Fluid phase equilibria 310 (1-2), 19-24, 2011 | 30 | 2011 |
Hydrogenated Anatase and Rutile TiO2 for Sodium-Ion Battery Anodes J Patra, SC Wu, IC Leu, CC Yang, RS Dhaka, S Okada, HL Yeh, ... ACS Applied Energy Materials 4 (6), 5738–5746, 2021 | 28 | 2021 |
Prediction of solid solute solubility in supercritical carbon dioxide with organic cosolvents from the PR+COSMOSAC equation of state YH Ting, CM Hsieh Fluid Phase Equilibria 431, 48-57, 2017 | 28 | 2017 |