Van der Waals density functional study of the structural and electronic properties of La-doped phenanthrene

The Journal of Chemical Physics ◽

10.1063/1.4832699 ◽

2013 ◽

Vol 139 (20) ◽

pp. 204709 ◽

Author(s):

Xun-Wang Yan ◽

Zhongbing Huang ◽

Hai-Qing Lin

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Van Der Waals ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties ◽

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Density functional study on structural and electronic properties of bimetallic gold–yttrium clusters: comparison with pure gold and yttrium clusters

Chinese Physics B ◽

10.1088/1674-1056/17/6/028 ◽

2008 ◽

Vol 17 (6) ◽

pp. 2110-2115 ◽

Author(s):

Mao Hua-Ping ◽

Wang Hong-Yan ◽

Sheng Yong

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Pure Gold ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties

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Structural and electronic properties of multilayer graphene on monolayer hexagonal boron nitride/nickel (111) interface system: A van der Waals density functional study

Journal of Applied Physics ◽

10.1063/1.4941552 ◽

2016 ◽

Vol 119 (6) ◽

pp. 065307 ◽

Author(s):

Celal Yelgel

Keyword(s):

Boron Nitride ◽

Electronic Properties ◽

Density Functional ◽

Hexagonal Boron Nitride ◽

Van Der Waals ◽

Functional Study ◽

Multilayer Graphene ◽

System A ◽

Structural And Electronic Properties ◽

Interface System

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Density functional study of structural and electronic properties of bimetallic silver–gold clusters: Comparison with pure gold and silver clusters

The Journal of Chemical Physics ◽

10.1063/1.1492800 ◽

2002 ◽

Vol 117 (7) ◽

pp. 3120-3131 ◽

Author(s):

Vlasta Bonačić-Koutecký ◽

Jaroslav Burda ◽

Roland Mitrić ◽

Maofa Ge ◽

Giuseppe Zampella ◽

...

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Gold Clusters ◽

Pure Gold ◽

Functional Study ◽

Silver Clusters ◽

Density Functional Study ◽

Structural And Electronic Properties

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Density functional study of the structural and electronic properties of RuS2(111)

Surface Science ◽

10.1016/s0039-6028(99)00757-8 ◽

1999 ◽

Vol 439 (1-3) ◽

pp. 163-172 ◽

Author(s):

M.E. Grillo ◽

V. Smelyanski ◽

P. Sautet ◽

J. Hafner

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties

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Structural and electronic properties of oxidized sodium clusters: A combined photoelectron and density functional study

The Journal of Chemical Physics ◽

10.1063/1.3267056 ◽

2009 ◽

Vol 131 (20) ◽

pp. 204313 ◽

Author(s):

Kiran Majer ◽

Ma Lei ◽

Christian Hock ◽

Bernd von Issendorff ◽

Andrés Aguado

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Sodium Clusters ◽

Structural And Electronic Properties

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Density Functional Study of Structural and Electronic Properties of Small Bimetallic Silver—Nickel Clusters

10.1002/chin.200744001 ◽

2007 ◽

Vol 38 (44) ◽

Author(s):

M. Harb ◽

F. Rabilloud ◽

D. Simon

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Nickel Clusters ◽

Structural And Electronic Properties

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Density functional study of the structural and electronic properties of aluminium-lithium clusters

Journal of Computational Methods in Sciences and Engineering ◽

10.3233/jcm-2007-75-603 ◽

2008 ◽

Vol 7 (5-6) ◽

pp. 355-372

Author(s):

J.I. Martínez ◽

A. Castro ◽

J.A. Alonso

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties ◽

Lithium Clusters

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Structural and electronic properties of stable Lin (n=2–10) clusters: A density functional study

Physica B Condensed Matter ◽

10.1016/j.physb.2013.08.005 ◽

2013 ◽

Vol 430 ◽

pp. 74-80 ◽

Author(s):

Pawan Chetri ◽

Ramesh Ch. Deka ◽

Amarjyoti Choudhury

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties

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A quasi-relativistic density functional study of structural and electronic properties of the bis-ketene cis-[Pt{η3-C3H5}{η1-C(PPh3)CO}2]+

Journal of Organometallic Chemistry ◽

10.1016/s0022-328x(03)00794-0 ◽

2003 ◽

Vol 682 (1-2) ◽

pp. 255-259 ◽

Author(s):

Maurizio Casarin ◽

Luciano Pandolfo

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties

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Density functional study of structural and electronic properties of small binary Be n Cu m (n + m = 2∼7) clusters

Journal of Molecular Modeling ◽

10.1007/s00894-013-1831-y ◽

2013 ◽

Vol 19 (8) ◽

pp. 3065-3075 ◽

Author(s):

Si-Cheng Li ◽

Ying Li ◽

Di Wu ◽

Zhi-Ru Li

Keyword(s):

Electronic Properties ◽

Density Functional ◽

Functional Study ◽

Density Functional Study ◽

Structural And Electronic Properties

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