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Calculation of the Solubility of Ortho-, Meta-, and Para-Hydroxybenzoic Acids in Pure and Methanol-Modified Supercritical Carbon Dioxide Based on Data from Molecular Dynamics

Russian journal of physical chemistry. B, 2023-12, Vol.17 (7), p.1488-1498

2023

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Experimental and Theoretical Investigation of Inclusion Complexes of β-Cyclodextrin with Fingolimod

Russian Journal of Physical Chemistry, 2023-03, Vol.97 (3), p.469-476

2023

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β-O-4' Dimerization of Coniferyl Alcohol: Ab Initio Study

Russian Journal of Physical Chemistry A, 2022-03, Vol.96 (3), p.680-683

2022

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Classical and ab initio molecular dynamics simulation of p-coumaric acid in methanol-modified supercritical carbon dioxide

Journal of physics. Conference series, 2018-12, Vol.1141 (1), p.12135

2018

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Structural and Dynamic Characteristics of a Water–Ethanol–2-Methoxy-4-(2-hydroxypropyl)phenol Mixture under Subcritical Conditions

Russian Journal of Physical Chemistry A, 2021-03, Vol.95 (3), p.445-450

2021

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Hydrogen-Bonded Complexes of p-Hydrobenzoic Acid and Its Derivatives with a Polar Cosolvent in Supercritical Carbon Dioxide

Russian Journal of Physical Chemistry A, 2019-05, Vol.93 (5), p.865-872

2019

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Agglomeration of Coniferyl Alcohol Molecules in Aqueous Solutions under Normal and Supercritical Conditions

Russian journal of physical chemistry. B, 2021-12, Vol.15 (8), p.1291-1295

2021

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Solvation of Hydroxybenzoic and Hydroxycinnamic Acids in Supercritical Carbon Dioxide: Formation of Hydrogen Bonds with a Polar Cosolvent

Russian journal of physical chemistry. B, 2018-12, Vol.12 (8), p.1276-1286

2018

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Formation of solvate structures by the ortho-, meta-, and para-isomers of hydroxybenzoic acid in supercritical fluid

Russian Journal of Physical Chemistry A, 2017-04, Vol.91 (4), p.708-714

2017

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Calculating the radial distribution functions of supercritical methanol by means of Car-Parrinello and classical molecular dynamics

Russian Journal of Physical Chemistry A, 2013-07, Vol.87 (7), p.1138-1144

2013

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Structure of hydrogen-bonded associates in supercritical water under low and high pressures

Russian Journal of Physical Chemistry A, 2013-03, Vol.87 (3), p.449-453

2013

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Hydrogen bond lifetime in supercritical water

Structural chemistry, 2011-04, Vol.22 (2), p.471-474

2011

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Hydrogen bond lifetime for water in classic and quantum molecular dynamics

Russian Journal of Physical Chemistry A, 2013-07, Vol.87 (7), p.1170-1174

2013

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Experimental and Theoretical Investigation of Inclusion Complexes of β-Cyclodextrin with Fingolimod

Журнал физической химии, 2023-03, Vol.97 (3), p.378-385

2023

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Structure of solvates of o-hydroxybenzoic acid in supercritical CO2-cosolvent media, according to molecular dynamics data

Russian Journal of Physical Chemistry A, 2015-03, Vol.89 (3), p.411-416

2015

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Sensitivity of model water structure to hydrogen bond included

Journal of molecular liquids, 2005-06, Vol.120 (1), p.19-21

2005

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Structural features of binary mixtures of supercritical CO2 with polar entrainers by molecular dynamics simulation

Russian Journal of Physical Chemistry A, 2013-10, Vol.87 (10), p.1662-1667

2013

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Hydrogen-bonded clusters and solvate structures in the supercritical CO2-water-o-hydroxybenzoic acid system: the car-parrinello molecular dynamics

Russian Journal of Physical Chemistry A, 2014-02, Vol.88 (2), p.259-266

2014

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Effect of pressure on the structure and dynamics of hydrogen bonds in ethylene glycol–water mixtures: Numerical simulation data

Russian Journal of Physical Chemistry A, 2016-03, Vol.90 (3), p.560-566

2016

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Hydrogen bond lifetime in supercritical water

Structural chemistry, 2011-04, Vol.22 (2), p.471-474

2011

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Formation of molecular complexes of salicylic acid, acetylsalicylic acid, and methyl salicylate in a mixture of supercritical carbon dioxide with a polar cosolvent

Russian Journal of Physical Chemistry A, 2015-08, Vol.89 (8), p.1389-1395

2015

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Numerical simulation of the solvate structures of acetylsalicylic acid in supercritical carbon dioxide containing polar co-solvents

Russian Journal of Physical Chemistry A, 2016-07, Vol.90 (7), p.1379-1384

2016

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Solvation of o-hydroxybenzoic acid in pure and modified supercritical carbon dioxide, according to numerical modeling data

Russian Journal of Physical Chemistry A, 2015-08, Vol.89 (8), p.1381-1388

2015

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Computer simulation of the hydrogen bond lifetime and the mechanism of the structural rearrangement of water

Russian Journal of Physical Chemistry A, 2013, Vol.87 (1), p.49-53

2013

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Structure of supercritical water: The concept of critical isotherm as a percolation threshold

Russian journal of physical chemistry. B, 2012-12, Vol.6 (8), p.899-906

2012

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Calculation of the Solubility of Ortho-, Meta-, and Para-Hydroxybenzoic Acids in Pure and Methanol-Modified Supercritical Carbon Dioxide Based on Data from Molecular Dynamics

Experimental and Theoretical Investigation of Inclusion Complexes of β-Cyclodextrin with Fingolimod

β-O-4' Dimerization of Coniferyl Alcohol: Ab Initio Study

Classical and ab initio molecular dynamics simulation of p-coumaric acid in methanol-modified supercritical carbon dioxide

Structural and Dynamic Characteristics of a Water–Ethanol–2-Methoxy-4-(2-hydroxypropyl)phenol Mixture under Subcritical Conditions

Hydrogen-Bonded Complexes of p-Hydrobenzoic Acid and Its Derivatives with a Polar Cosolvent in Supercritical Carbon Dioxide

Agglomeration of Coniferyl Alcohol Molecules in Aqueous Solutions under Normal and Supercritical Conditions

Solvation of Hydroxybenzoic and Hydroxycinnamic Acids in Supercritical Carbon Dioxide: Formation of Hydrogen Bonds with a Polar Cosolvent

Formation of solvate structures by the ortho-, meta-, and para-isomers of hydroxybenzoic acid in supercritical fluid

Calculating the radial distribution functions of supercritical methanol by means of Car-Parrinello and classical molecular dynamics

Structure of hydrogen-bonded associates in supercritical water under low and high pressures

Hydrogen bond lifetime in supercritical water

Hydrogen bond lifetime for water in classic and quantum molecular dynamics

Experimental and Theoretical Investigation of Inclusion Complexes of β-Cyclodextrin with Fingolimod

Structure of solvates of o-hydroxybenzoic acid in supercritical CO2-cosolvent media, according to molecular dynamics data

Sensitivity of model water structure to hydrogen bond included

Structural features of binary mixtures of supercritical CO2 with polar entrainers by molecular dynamics simulation

Hydrogen-bonded clusters and solvate structures in the supercritical CO2-water-o-hydroxybenzoic acid system: the car-parrinello molecular dynamics

Effect of pressure on the structure and dynamics of hydrogen bonds in ethylene glycol–water mixtures: Numerical simulation data

Hydrogen bond lifetime in supercritical water

Formation of molecular complexes of salicylic acid, acetylsalicylic acid, and methyl salicylate in a mixture of supercritical carbon dioxide with a polar cosolvent

Numerical simulation of the solvate structures of acetylsalicylic acid in supercritical carbon dioxide containing polar co-solvents

Solvation of o-hydroxybenzoic acid in pure and modified supercritical carbon dioxide, according to numerical modeling data

Computer simulation of the hydrogen bond lifetime and the mechanism of the structural rearrangement of water

Structure of supercritical water: The concept of critical isotherm as a percolation threshold

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