Structure of fluid mixtures near a solute: A density functional approach

Chandra N. Patra

doi:10.1063/1.4894810

Structure of fluid mixtures near a solute: A density functional approach

The Journal of Chemical Physics ◽

10.1063/1.4894810 ◽

2014 ◽

Vol 141 (10) ◽

pp. 104503 ◽

Cited By ~ 4

Author(s):

Chandra N. Patra

Keyword(s):

Density Functional ◽

Functional Approach ◽

Fluid Mixtures

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Structure of nonuniform fluid mixtures: A self-consistent density-functional approach

The Journal of Chemical Physics ◽

10.1063/1.1514650 ◽

2002 ◽

Vol 117 (19) ◽

pp. 8933-8937 ◽

Cited By ~ 18

Author(s):

Chandra N. Patra ◽

Swapan K. Ghosh

Keyword(s):

Density Functional ◽

Functional Approach ◽

Fluid Mixtures ◽

Nonuniform Fluid ◽

Self Consistent

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Structure of nonuniform three-component fluid mixtures: A density-functional approach

The Journal of Chemical Physics ◽

10.1063/1.1537249 ◽

2003 ◽

Vol 118 (8) ◽

pp. 3668-3676 ◽

Cited By ~ 20

Author(s):

Chandra N. Patra ◽

Swapan K. Ghosh

Keyword(s):

Density Functional ◽

Functional Approach ◽

Fluid Mixtures

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Lennard-Jones Fluid Mixtures in Contact with Semipermeable Membranes. A Density Functional Approach

The Journal of Physical Chemistry B ◽

10.1021/jp982028r ◽

1999 ◽

Vol 103 (17) ◽

pp. 3366-3372 ◽

Cited By ~ 9

Author(s):

Paweł Bryk ◽

Stefan Sokołowski ◽

Orest Pizio

Keyword(s):

Density Functional ◽

Functional Approach ◽

Semipermeable Membranes ◽

Fluid Mixtures ◽

Lennard Jones

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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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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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