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

Dapeng Cao; Menghan Zhu; Wenchuan Wang

doi:10.1021/jp064040m

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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Density functional approach to thermodynamics of self-assembly

The Journal of Chemical Physics ◽

10.1063/1.1858439 ◽

2005 ◽

Vol 122 (16) ◽

pp. 164501 ◽

Cited By ~ 4

Author(s):

Radhika S. Saksena ◽

Leslie V. Woodcock

Keyword(s):

Self Assembly ◽

Density Functional ◽

Functional Approach

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Hybrid density functional approach to the isotropic and anisotropic hyperfine couplings with 14N and 1H nuclei in the blue copper proteins

Chemical Physics Letters ◽

10.1016/s0009-2614(01)00753-9 ◽

2001 ◽

Vol 343 (5-6) ◽

pp. 571-580 ◽

Cited By ~ 16

Author(s):

Adrian R Jaszewski ◽

Julia Jezierska

Keyword(s):

Density Functional ◽

Functional Approach ◽

Copper Proteins ◽

Blue Copper Proteins ◽

Blue Copper ◽

Anisotropic Hyperfine ◽

Hybrid Density Functional ◽

Hyperfine Couplings

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Hybrid density functional approach to the structures and EPR parameters of σ-type iminoxy radicals: the case of 3-oxobutan-2-iminoxyl

Chemical Physics Letters ◽

10.1016/s0009-2614(00)00187-1 ◽

2000 ◽

Vol 319 (5-6) ◽

pp. 611-617 ◽

Cited By ~ 17

Author(s):

Adrian R. Jaszewski ◽

Julia Jezierska ◽

Adam Jezierski

Keyword(s):

Density Functional ◽

Functional Approach ◽

Epr Parameters ◽

Hybrid Density Functional

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The comparative study on interactions between ionic liquid and CO2/SO2 by a hybrid density functional approach in the gas phase

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2013.06.038 ◽

2013 ◽

Vol 1020 ◽

pp. 22-31 ◽

Cited By ~ 9

Author(s):

Peng Gu ◽

Renqing Lü ◽

Shutao Wang ◽

Yukun Lu ◽

Dong Liu

Keyword(s):

Ionic Liquid ◽

Comparative Study ◽

Gas Phase ◽

Density Functional ◽

Functional Approach ◽

The Comparative Study ◽

Hybrid Density Functional

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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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Two-dimensional g-C3N4/Ti2CO2 heterostructure as a direct Z-scheme photocatalyst for water splitting: A hybrid density functional theory investigation

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2021.114872 ◽

2021 ◽

pp. 114872

Author(s):

X. Liu ◽

W. Kang ◽

L. Qi ◽

J. Zhao ◽

Y. Wang ◽

...

Keyword(s):

Density Functional Theory ◽

Water Splitting ◽

Density Functional ◽

Hybrid Density Functional Theory ◽

Two Dimensional ◽

Functional Theory ◽

Hybrid Density Functional

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Hybrid Density Functional Theory Study on Structural and Optoelectronic Properties of ZnSe1–xTex for the Photocatalytic Applications

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.1c03670 ◽

2021 ◽

Author(s):

Sajjad Hussain ◽

Lingju Guo ◽

Tao He

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Optoelectronic Properties ◽

Hybrid Density Functional Theory ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structural And Optoelectronic Properties ◽

Hybrid Density Functional ◽

Photocatalytic Applications

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Assessing the Accuracy of Local Hybrid Density Functional Approximations for Molecular Response Properties

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.1c00203 ◽

2021 ◽

Author(s):

Christof Holzer ◽

Yannick J. Franzke ◽

Max Kehry

Keyword(s):

Density Functional ◽

Molecular Response ◽

Response Properties ◽

Hybrid Density Functional

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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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Calculation of the 4,5-dihydro-1,3,2-dithiazolyl radical g tensor components by the coupled-perturbed Kohn-Sham hybrid density functional and configuration interaction methods: a comparative study

Magnetic Resonance in Chemistry ◽

10.1002/mrc.2649 ◽

2010 ◽

Vol 48 (S1) ◽

pp. S122-S131 ◽

Cited By ~ 6

Author(s):

Saba M. Mattar ◽

Jeremy Durelle

Keyword(s):

Comparative Study ◽

Configuration Interaction ◽

Density Functional ◽

Hybrid Density Functional

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