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…
Exposing Hidden Alternative Conformations of Small Flexible Molecules in 2D NMR Spectroscopy Using 1H-15N HMBC
Ilya Khodov, Sergey Efimov, Michael Krestyaninov +1
Two-dimensional 1H-15N HMBC NMR spectra of a well-known anticonvulsant-carbamazepine-dissolved in chloroform, recorded on an NMR spectrometer and obtained from quantum-chemical cal…
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…