Buchumschlag

Effects of methods and basis sets on calculation results using various solvation models

Gespeichert in:

Bibliographische Detailangaben
Datum:	2018
1. Verfasser:	V. M. Gunko
Format:	Artikel
Sprache:	Englisch
Veröffentlicht:	2018
Schriftenreihe:	Chemistry, physics and technology of surface
Online Zugang:	http://jnas.nbuv.gov.ua/article/UJRN-0000857843
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!
Назва журналу:	Library portal of National Academy of Sciences of Ukraine \| LibNAS

Institution

Library portal of National Academy of Sciences of Ukraine | LibNAS

Ähnliche Einträge

Various methods to describe the morphological and textural characteristics of various materials
von: V. M. Gunko
Veröffentlicht: (2018)

Molecular theory of solvation: Methodology summary and illustrations
von: Kovalenko, A.
Veröffentlicht: (2015)

Features of BET method application to various adsorbents
von: V. M. Gunko
Veröffentlicht: (2022)

Compensation of isotope effects at the near solvation of singly charged ions in light and heavy waters
von: V. I. Bulavin, et al.
Veröffentlicht: (2022)

Composition of the salt-solvate electrolyte and capacity of natural pyrite
von: V. D. Prisjazhnyj, et al.
Veröffentlicht: (2013)

Statement of the Problem of Complete Set of UAV Group on the Basis of Models of Granular Calculations and Fuzzy Logic
von: Yu. Korolov, et al.
Veröffentlicht: (2021)

Compensation of isotope effects at the near solvation of singly charged ions in light and heavy waters
von: V. I. Bulavin, et al.
Veröffentlicht: (2022)

Modeling of Amino Acid Solvation by Polymer Cryoprotectants under Mass Spectrometric Experiment Conditions
von: M. V. Kosevich, et al.
Veröffentlicht: (2012)

SPECIFIC CHARACTERISTICS OF SULFUR ELECTRODES IN SALT-SOLVATE ELECTROLYTES
von: Globa, Nataliy, et al.
Veröffentlicht: (2023)

Solvation of atomic fluorine in bulk superfluid 4He
von: J. Eloranta
Veröffentlicht: (2011)

Calculation of spare elements in complete sets of the ZIP on the basis of DN-distribution
von: Strelnikov, V.P., et al.
Veröffentlicht: (2009)

Kinetic parameters of ionizing power of solvents. The nature of solvation effects in heterolysis of 2-aryl-2-chloroadamantanes
von: O. I. Vasylkevych, et al.
Veröffentlicht: (2020)

Confined space effects on various liquids interacting with fumed nanooxides and porous silicas
von: V. M. Gunko
Veröffentlicht: (2022)

Gas-phase solvate-stimulated adsorption modifying of nanosilica with liquid paraffin
von: L. V. Nosach
Veröffentlicht: (2013)

The mathematical model, method and results of calculating the effort to tie the stretching prisms of stator core of the turbogenerator with the defect on the basis of method three moments
von: O. I. Tytko, et al.
Veröffentlicht: (2014)

Solvation force between tethered polyelectrolyte layers. A density functional approach
von: Pizio, O., et al.
Veröffentlicht: (2012)

Near solvation and ionic mobility in infinite dilution alcoholic and aqueous solutions of halogen hydrides
von: V. I. Bulavin, et al.
Veröffentlicht: (2012)

The Engineering Calculation Method and Results of Circulating Fluidized Bed Boiler Calculation Research
von: Ju. Majstrenko, et al.
Veröffentlicht: (2010)

Results on fractal measure of some sets
von: Barbulescu, A.
Veröffentlicht: (2007)

Basis set effects on the structure of isomeric nitroanilines: the role of basis set expansion, additional diffuse and polarization functions within the frame of DFT and MP2 approaches
von: Omelchenko, I.V., et al.
Veröffentlicht: (2017)

Results of Experimental–Numerical Modeling of Smoke Flow under Various Temperature Conditions
von: Kolesnyk, Vitalii, et al.
Veröffentlicht: (2026)

The development of the model of the expert system on the basis of fuzzy sets for panning of agricultural work
von: I. V. Balchenko, et al.
Veröffentlicht: (2014)

The development of the model of the expert system on the basis of fuzzy sets for panning of agricultural work
von: Balchenko, I.V., et al.
Veröffentlicht: (2014)

Planning of the development of the enterprise on the basis of the strategic set
von: I. M. Aheieva, et al.
Veröffentlicht: (2018)

Grid resolution influence on the results of three-dimensional flow calculations in turbomachine flowpaths at use RANS models
von: S. V. Ershov, et al.
Veröffentlicht: (2015)

Modelling of evaporation of clusters and nanodroplets of organic molecules using quantum chemical and the kinetic gas theory methods
von: V. M. Gunko
Veröffentlicht: (2015)

Colligative properties of various liquid blends vs. temperature under confined space effects in pores of different adsorbents
von: V. M. Gun’ko, et al.
Veröffentlicht: (2024)

Grid resolution influence on the results of three-dimensional flow calculations in turbomachine flowpaths at use RANS models
von: Ершов, С. В., et al.
Veröffentlicht: (2015)

Grid resolution influence on the results of three-dimensional flow calculations in turbomachine flowpaths at use RANS models
von: Ершов, С. В., et al.
Veröffentlicht: (2015)

Effect of complex stimulation of insects while using biostimulants of various groups
von: E. V. Danshina, et al.
Veröffentlicht: (1999)

Theoretical analysis of adsorption of various compounds onto hydrophilic and hydrophobic silicas compared to activated carbons
von: V. M. Gunko
Veröffentlicht: (2019)

Calculating the Credit Limit for Individual Borrower on the Basis of Logit-Model
von: E. O. Kovpak, et al.
Veröffentlicht: (2018)

Substantiation of the calculation methods of the nitrogen removing (nitrification) in bioreactors with using on the biofilm models
von: Ya. Oliinyk, et al.
Veröffentlicht: (2021)

Prognostics of the Results of Application of Tax Advantages, on the Basis of Simulation Method
von: O. S. Vinnikova, et al.
Veröffentlicht: (2014)

Substantiation of the calculation methods of the nitrogen removing (nitrification) in bioreactors with using on the biofilm models
von: Oliynyk, Oleksandr Ya., et al.
Veröffentlicht: (2021)

Improvement of the model of computer epidemics on the basis of expanding the set of possible states of the information system objects
von: A. S. Bychkov, et al.
Veröffentlicht: (2019)

Economy and law basis of damage&#039;s calculation as a result of breaking the land protection law
von: O. Bredikhin
Veröffentlicht: (2012)

Goal-setting as the Basis of the Austrian School of Economic Theory
von: O. S. Vyshnevskyi
Veröffentlicht: (2020)

Adsorption of various compounds onto nanooxides unmodified and differently pretreated
von: V. M. Gun’ko, et al.
Veröffentlicht: (2023)

Multi-criteria decision making based on using a set of optimization methods
von: M. M. Potomkin, et al.
Veröffentlicht: (2018)