Dissolving power of the binary solvent carbon tetrachloride – methanol. Solubility of caffeine: Experiment, ASL model, and MD simulation

Solubility measurement and thermodynamic modeling of caffeine in N-methyl-2-pyrrolidone + isopropanol mixtures at different temperatures

(2021) Homa Rezaei et al.   JOURNAL OF MOLECULAR LIQUIDS

Solubility of caffeine in carbitol + ethanol mixture at different temperatures

(2020) Homa Rezaei et al.   JOURNAL OF MOLECULAR LIQUIDS

Solubility of caffeine in N-methyl-2-pyrrolidone + ethanol mixture at different temperatures

(2019) Homa Rezaei et al.   JOURNAL OF MOLECULAR LIQUIDS

1 H NMR study of self-diffusion and molecular association of caffeine, theophylline and theobromine in the binary solvent methanol‑ d 4 –carbon tetrachloride

(2018) Vasiliy A. Golubev   JOURNAL OF MOLECULAR LIQUIDS

Measurement and Correlation of Solubility of Theobromine, Theophylline, and Caffeine in Water and Organic Solvents at Various Temperatures

(2017) Jialun Zhong et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Self-diffusion of caffeine and methanol in ternary mixtures caffeine–methanol–carbon tetrachloride at temperatures of 298 and 313 K

(2017) Vasiliy A. Golubev et al.   JOURNAL OF MOLECULAR LIQUIDS

Solubility and Preferential Solvation of Caffeine and Theophylline in {Methanol + Water} Mixtures at 298.15 K

(2017) Zaira J. Cárdenas et al.   JOURNAL OF SOLUTION CHEMISTRY

Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

(2016) Gabriela Guevara-Carrion et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of molecular association on the solubility of methylxanthines in supercritical solvent CO2–methanol

(2016) V. A. Golubev et al.   Russian Journal of Physical Chemistry B

Predicting the excess solubility of acetanilide, acetaminophen, phenacetin, benzocaine, and caffeine in binary water/ethanol mixtures via molecular simulation

(2015) Andrew S. Paluch et al.   JOURNAL OF CHEMICAL PHYSICS

Solubility of caffeine in the supercritical CO2–methanol binary solvent

(2015) V. A. Golubev et al.   Russian Journal of Physical Chemistry B

Practical Aspects of Free-Energy Calculations: A Review

(2014) Niels Hansen et al.   Journal of Chemical Theory and Computation

Solubility of porphyrin macrocycles in mixed solvents

(2012) M. Yu. Nikiforov et al.   JOURNAL OF STRUCTURAL CHEMISTRY

An Automated Force Field Topology Builder (ATB) and Repository: Version 1.0

(2011) Alpeshkumar K. Malde et al.   Journal of Chemical Theory and Computation

Efficiency of alchemical free energy simulations. I. A practical comparison of the exponential formula, thermodynamic integration, and Bennett's acceptance ratio method

(2010) Stefan Bruckner et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Calculations of the enthalpy of solution of nonelectrolytes in mixed solvents within the framework of molecular association theory

(2010) E. D. Totchasov et al.   Russian Journal of Physical Chemistry A