(Q39811855)

14 September 2017

title

The role of molecular modeling in confined systems: impact and prospects (English)

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14 September 2017

Keith E Gubbins

1

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14 September 2017

Ying-Chun Liu

series ordinal

2

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14 September 2017

Joshua D Moore

series ordinal

3

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14 September 2017

Jeremy C Palmer

series ordinal

4

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14 September 2017

language of work or name

English

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publication date

29 November 2010

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Physical Chemistry Chemical Physics

14 September 2017

number of pages

28

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based on heuristic

inferred from page(s)

published in

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14 September 2017

volume

13

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14 September 2017

issue

1

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14 September 2017

page(s)

58-85

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Single-file diffusion observation.

14 September 2017

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The Fluctuation Theorem

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Experimental Demonstration of Violations of the Second Law of Thermodynamics for Small Systems and Short Time Scales

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Accurate interaction energies at density functional theory level by means of an efficient dispersion correction.

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Comparison of nonequilibrium molecular dynamics with experimental measurements in the nonlinear shear-thinning regime.

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Microstructure and thermodynamics of inhomogeneous polymer blends and solutions.

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NMR Studies of Single-File Diffusion in Unidimensional Channel Zeolites

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Single-file diffusion of colloids in one-dimensional channels

21 January 2018

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Single-file diffusion of confined water inside SWNTs: an NMR study

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Normal and anomalous diffusion in highly confined hard disk fluid mixtures

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The mechanism of water diffusion in narrow carbon nanotubes

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21 January 2018

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21 January 2018

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Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system

21 January 2018

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Combining reactive and configurational-bias Monte Carlo: confinement influence on the propene metathesis reaction system in various zeolites.

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A remarkable shape-catalytic effect of confinement on the rotational isomerization of small hydrocarbons

21 January 2018

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21 January 2018

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The nature of the liquid-vapour interface and other topics in the statistical mechanics of non-uniform, classical fluids

21 January 2018

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Free-energy model for the inhomogeneous hard-sphere fluid mixture and density-functional theory of freezing

21 January 2018

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Molecular dynamics simulations at constant pressure and/or temperature

21 January 2018

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Motions and Relaxations of Confined Liquids

21 January 2018

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Adsorption and diffusion of argon confined in ordered and disordered microporous carbons

21 January 2018

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21 January 2018

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Single-file diffusion of colloids in one-dimensional channels

21 January 2018

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I. Nineteenth century clouds over the dynamical theory of heat and light

21 January 2018

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18 October 2022

https://opencitations.net/index/coci/api/v1/citations/10.1080/14786440109462664

Identifiers

DOI

10.1039/C0CP01475C

1 reference

14 September 2017

1 reference