22 citations · 22 across the 1 of their papers we have counts for
4 papers
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…
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…
Metal-Organic Framework Breathing in Electric Field: A Theoretical Study
Andrei L. Kolesnikov, Yury A. Budkov, Jens Möllmer +2
In this manuscript, we study the electrically induced breathing of Metal-Organic Framework (MOF) within a 2D lattice model. The Helmholtz free energy of the MOF in electric field c…