3 citations · 3 across the 1 of their papers we have counts for
3 papers
Computation of drug solvation free energy in supercritical CO2: alternatives to all-atom computer simulations
N. N. Kalikin, Y. A. Budkov, A. L. Kolesnikov +3
Despite the modern level of development of computational chemistry methods and techno-logical progress, fast and accurate determination of solvation free energy remains a huge prob…
Carbamazepine solubility in supercritical CO: a comprehensive study
N. N. Kalikin, M. V. Kurskaya, D. V. Ivlev +6
In this paper we present our study of carbamazepine solubility in supercritical carbon dioxide. We have calculated the solubility values along two isochores corresponding to the CO…
High-pressure NMR spectroscopy in studies of the conformational composition of small molecules of ibuprofen in supercritical carbon dioxide
Ilya Khodov, Alexey Dyshin, Sergey Efimov +2
An experimental approach in conducting NMR measurements at supercritical parameters of state is discussed. A novel design of the high-pressure NMR cell was developed which allowed…