Cover Image

Quantum chemical simulation of the effect of adsorption of water and methanol molecules on the parameters of phase transition in vanadium dioxide

Saved in:

Bibliographic Details
Date:	2015
Main Authors:	V. M. Kaurkovska, A. H. Hrebeniuk, V. V. Lobanov
Format:	Article
Language:	English
Published:	2015
Series:	Surface
Online Access:	http://jnas.nbuv.gov.ua/article/UJRN-0000516634
Tags:	Add Tag No Tags, Be the first to tag this record!
Journal Title:	Library portal of National Academy of Sciences of Ukraine \| LibNAS

Institution

Library portal of National Academy of Sciences of Ukraine | LibNAS

Similar Items

Theoretical study on the pressure-induced phase transition in vanadium dioxide
by: A.G. Grebenyuk, et al.
Published: (2015)

Quantum chemical calculations on adsorption of o2 molecules on the anatase (001) surface
by: O. V. Smirnova, et al.
Published: (2016)

Computer simulation of vanadium dioxide semiconductor phase formation in supersaturated solutions
by: I. M. Chernenko, et al.
Published: (2011)

Computer simulation of vanadium dioxide semiconductor phase formation in supersaturated solutions
by: Chernenko, I.M., et al.
Published: (2011)

Effect of zirconium doping on the properties of defect titanium dioxide films: quantum chemical calculations
by: O. V. Smirnova, et al.
Published: (2019)

Chemical environment of water molecules adsorbed on the anatase surface: quantum chemical study
by: O. V. Smirnova, et al.
Published: (2019)

EA density functional study of the adsorption of carbon dioxide molecule on graphene
by: D. P. Thakur, et al.
Published: (2013)

EA density functional study of the adsorption of carbon dioxide molecule on graphene
by: D. P. Thakur, et al.
Published: (2013)

Aggregation of benzene molecules with molecules of methanol and formic acid
by: F. H. Tukhvatullin, et al.
Published: (2012)

Aggregation of benzene molecules with molecules of methanol and formic acid
by: F. H. Tukhvatullin, et al.
Published: (2012)

Electrocatalytic Processing of Carbon Dioxide into Methanol and Formaldehyde
by: A. O. Kamensky, et al.
Published: (2021)

Spectroscopy of fullerene-like molecules of silicon dioxide
by: O. V. Filonenko, et al.
Published: (2013)

Triplet-singlet transitions during the adsorption of O2 molecules on the face Si(111)
by: M. I. Terebinskaja, et al.
Published: (2015)

Quantum chemical modeling of intermolecular interactionsof fullerene-like silicon dioxide molecules (SiO2)n(H2O)n/2
by: O. V. Filonenko, et al.
Published: (2014)

Quantum chemical modeling of adsorption complexes of fragment of poly(2 hydroxyethyl methacrylate) on silica surface
by: Ye. M. Demianenko, et al.
Published: (2016)

Quantum-chemical modeling of orthophosphoric acid adsorption centers on hydrated anatase surface
by: O. V. Filonenko, et al.
Published: (2020)

Quantum chemical simulation of surface hydrophobization of silicate materials with alkali siliconates
by: A. H. Hrebeniuk, et al.
Published: (2016)

A quantum chemical study on the effect of titanium dioxide modification with non-metals on its spectral characteristics
by: O. V. Smirnova, et al.
Published: (2020)

Quantum chemical simulation of the interaction of atomic chlorine with quartz surface
by: Ye. M. Demianenko, et al.
Published: (2017)

On the properties of a single OPLS-UA model curcumin molecule in water, methanol and dimethyl sulfoxide. Molecular dynamics computer simulation results
by: Patsahan, T., et al.
Published: (2017)

Adsorption from binary solutions on chemically bonded phases
by: Borówko, M., et al.
Published: (2016)

Electrical conductivity of the &quot;polyethylene — vanadium dioxide&quot; composite
by: E. V. Antonova, et al.
Published: (2013)

A quantum chemical cluster approach to study adsorption of some nitro compounds on the {100} α-quartz surface
by: Tsendra, O., et al.
Published: (2012)

Ordered adsorption of organic molecules on inorganic nanoparticles
by: Yu. V. Maliukin, et al.
Published: (2015)

Dynamical quantum phase transitions
by: A. A. Zvyagin
Published: (2016)

Structure and dielectric properties in the radio frequency range of polymer composites based on vanadium dioxide
by: V. R. Kolbunov, et al.
Published: (2015)

Quantumchemical calculation of 29Si NMR spectrum of silicon dioxide fullerene-like molecules
by: O. V. Filonenko, et al.
Published: (2015)

Molecular dynamics simulations of the properties of water-methanol mixtures. Effects of force fields
by: Cruz Sanchez, M, et al.
Published: (2019)

Stabilizing small particles of lithium hydroxide with adsorbed water molecules: a quantum chemical study
by: Grebenyuk, A.G.
Published: (2002)

Some physical and chemical laws of carbothermic restoration of vanadium
by: S. M. Grigorev, et al.
Published: (2011)

Quantum chemical simulation of acid-base properties of the surface of SnO2 nanoparticles
by: O. V. Filonenko, et al.
Published: (2023)

Simulation of the interaction potential between water molecules
by: M. V. Tymofieiev
Published: (2016)

Simulation of the interaction potential between water molecules
by: M. V. Timofeev
Published: (2016)

Phase diagram of the spin quantum Hall transition
by: V. Kagalovsky, et al.
Published: (2018)

Phase diagram of the spin quantum Hall transition
by: Kagalovsky, V., et al.
Published: (2018)

Chemical composition of the frozen out methanol extracts from true mushrooms basidioms
by: L. V. Panchak, et al.
Published: (2011)

Graphene wetting by methanol or water
by: A. G. Barylka, et al.
Published: (2015)

Graphene wetting by methanol or water
by: A. H. Barylka, et al.
Published: (2015)

Quantum phase transitions and thermodynamics of quantum antiferromagnets with competing interactions
by: Trippe, Ch., et al.
Published: (2007)

Quantum-chemical simulation of the cluster structure of liquid N-heptanol
by: P. Golub, et al.
Published: (2012)