Density Functional Approach to Adsorption of Simple Fluids on Surfaces Modified with a Brush-like Chain Structure

A. Patrykiejew; S. Sokołowski; R. Tscheliessnig; J. Fischer; O. Pizio

doi:10.1021/jp710978t

Density Functional Approach to Adsorption of Simple Fluids on Surfaces Modified with a Brush-like Chain Structure

The Journal of Physical Chemistry B ◽

10.1021/jp710978t ◽

2008 ◽

Vol 112 (15) ◽

pp. 4552-4560 ◽

Cited By ~ 13

Author(s):

A. Patrykiejew ◽

S. Sokołowski ◽

R. Tscheliessnig ◽

J. Fischer ◽

O. Pizio

Keyword(s):

Density Functional ◽

Chain Structure ◽

Functional Approach ◽

Simple Fluids

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A self-consistent weighted-density-functional approach to the structure of simple fluids

The Journal of Chemical Physics ◽

10.1063/1.1475757 ◽

2002 ◽

Vol 116 (22) ◽

pp. 9845-9849 ◽

Cited By ~ 4

Author(s):

Chandra N. Patra ◽

Swapan K. Ghosh

Keyword(s):

Density Functional ◽

Functional Approach ◽

Simple Fluids ◽

Weighted Density ◽

Self Consistent

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Structure and phase transitions in a network-forming associating Lennard-Jones fluid in a slit-like pore: a density functional approach

Molecular Physics ◽

10.1080/002689799163154 ◽

1999 ◽

Vol 97 (8) ◽

pp. 919-930 ◽

Cited By ~ 3

Author(s):

Adrian Huerta, Stefan Sokolowski, Orest Pi

Keyword(s):

Phase Transitions ◽

Density Functional ◽

Functional Approach ◽

Lennard Jones

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Understanding structure-activity relation in VxOy clusters of varied stoichiometry and sizes through conceptual density functional approach

Journal of Molecular Modeling ◽

10.1007/s00894-019-4168-3 ◽

2019 ◽

Vol 25 (11) ◽

Cited By ~ 1

Author(s):

Navjot Kaur ◽

Shuchi Gupta ◽

Neetu Goel

Keyword(s):

Density Functional ◽

Functional Approach ◽

Structure Activity

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Si Nanoribbons on Ag(110) Studied by Grazing-Incidence X-Ray Diffraction, Scanning Tunneling Microscopy, and Density-Functional Theory: Evidence of a Pentamer Chain Structure

Physical Review Letters ◽

10.1103/physrevlett.117.276102 ◽

2016 ◽

Vol 117 (27) ◽

Cited By ~ 17

Author(s):

Geoffroy Prévot ◽

Conor Hogan ◽

Thomas Leoni ◽

Romain Bernard ◽

Eric Moyen ◽

...

Keyword(s):

Density Functional Theory ◽

Scanning Tunneling Microscopy ◽

Density Functional ◽

Grazing Incidence ◽

Chain Structure ◽

Scanning Tunneling ◽

X Ray Diffraction ◽

Tunneling Microscopy ◽

Functional Theory ◽

X Ray

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Microstructure and Self-Assembly of Inhomogeneous Rigid Rodlike Chains between Two Neutral Surfaces: A Hybrid Density Functional Approach

The Journal of Physical Chemistry B ◽

10.1021/jp064040m ◽

2006 ◽

Vol 110 (43) ◽

pp. 21882-21889 ◽

Cited By ~ 14

Author(s):

Dapeng Cao ◽

Menghan Zhu ◽

Wenchuan Wang

Keyword(s):

Self Assembly ◽

Density Functional ◽

Functional Approach ◽

Hybrid Density Functional

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Further investigation of the spatial generalization of Kato's theorem by a variational density-functional approach

International Journal of Quantum Chemistry ◽

10.1002/qua.560400312 ◽

1991 ◽

Vol 40 (3) ◽

pp. 409-414 ◽

Cited By ~ 1

Author(s):

P. Csavinszky ◽

T. Kubaska

Keyword(s):

Density Functional ◽

Functional Approach

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Analytic energy derivatives in the numerical local‐density‐functional approach

The Journal of Chemical Physics ◽

10.1063/1.460208 ◽

1991 ◽

Vol 94 (11) ◽

pp. 7245-7250 ◽

Cited By ~ 375

Author(s):

B. Delley

Keyword(s):

Density Functional ◽

Local Density ◽

Functional Approach ◽

Energy Derivatives ◽

Analytic Energy Derivatives ◽

Local Density Functional

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Erratum: A density functional approach to freezing transitions in molecular fluids: Dipolar hard spheres [J. Chem. Phys. 86, 4146 (1987)]

The Journal of Chemical Physics ◽

10.1063/1.454776 ◽

1988 ◽

Vol 88 (2) ◽

pp. 1476-1477 ◽

Cited By ~ 4

Author(s):

William E. McMullen ◽

David W. Oxtoby

Keyword(s):

Density Functional ◽

Hard Spheres ◽

Chem Phys ◽

Functional Approach ◽

Molecular Fluids

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A density functional approach to characterize anisotropic hyperelastic behavior of organic crystals: Case study of nylon-6,6

Computational Materials Science ◽

10.1016/j.commatsci.2016.08.004 ◽

2016 ◽

Vol 124 ◽

pp. 390-397 ◽

Cited By ~ 3

Author(s):

H. Farahmand ◽

A.R. Setoodeh

Keyword(s):

Density Functional ◽

Functional Approach ◽

Organic Crystals ◽

Nylon 6,6

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Ab initio density functional approach for noncollinear molecular magnetism of multicenter metal clusters

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2003.12.1204 ◽

2004 ◽

Vol 272-276 ◽

pp. E255-E256 ◽

Cited By ~ 5

Author(s):

Shusuke Yamanaka ◽

Ryo Takeda ◽

Takashi Kawakami ◽

Kazuto Nakata ◽

Toshihiro Sakuma ◽

...

Keyword(s):

Ab Initio ◽

Density Functional ◽

Metal Clusters ◽

Functional Approach ◽

Molecular Magnetism

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