A high-resolution electron momentum spectroscopy and density functional theory study into the complete valence electronic structure of allene

Journal of Computational Chemistry ◽

10.1002/jcc.1090 ◽

2001 ◽

Vol 22 (13) ◽

pp. 1321-1333 ◽

Author(s):

F. Wang ◽

H. Mackenzie-Ross ◽

D. A. Winkler ◽

I. E. McCarthy ◽

L. Campbell ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

High Resolution ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electron Momentum ◽

Resolution Electron ◽

Electron Momentum Spectroscopy ◽

Valence Electronic Structure

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An electron momentum spectroscopy and density functional theory study of the outer valence electronic structure of stella-2,6-dione

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/36/14/316 ◽

2003 ◽

Vol 36 (14) ◽

pp. 3155-3171 ◽

Author(s):

K L Nixon ◽

F Wang ◽

L Campbell ◽

T Maddern ◽

D Winkler ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Outer Valence ◽

Valence Electronic Structure

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A Density Functional Theory and Electron Momentum Spectroscopy Study into the Complete Valence Electronic Structure of Cubane

Journal of the American Chemical Society ◽

10.1021/ja9940423 ◽

2000 ◽

Vol 122 (16) ◽

pp. 3892-3900 ◽

Author(s):

W. Adcock ◽

M. J. Brunger ◽

I. E. McCarthy ◽

M. T. Michalewicz ◽

W. von Niessen ◽

...

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Spectroscopy Study ◽

Functional Theory ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Valence Electronic Structure

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An electron momentum spectroscopy and density functional theory investigation into the complete valence electronic structure of ethylene oxide

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/32/13/313 ◽

1999 ◽

Vol 32 (13) ◽

pp. 3239-3253 ◽

Author(s):

D A Winkler ◽

M T Michalewicz ◽

F Wang ◽

M J Brunger

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Ethylene Oxide ◽

Density Functional ◽

Functional Theory ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Valence Electronic Structure

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An electronic structure study of acetone by electron momentum spectroscopy: a comparison with SCF, MRSD-CI and density functional theory

Chemical Physics ◽

10.1016/0301-0104(94)00225-8 ◽

1994 ◽

Vol 188 (2-3) ◽

pp. 109-129 ◽

Author(s):

Y. Zheng ◽

J.J. Neville ◽

C.E. Brion ◽

Y. Wang ◽

E.R. Davidson

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Structure Study ◽

Functional Theory ◽

Electron Momentum ◽

Electron Momentum Spectroscopy

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Two bonding configurations of acetylene on Si(001)-(2×1): A combined high-resolution electron energy loss spectroscopy and density functional theory study

The Journal of Chemical Physics ◽

10.1063/1.2387167 ◽

2006 ◽

Vol 125 (19) ◽

pp. 194712 ◽

Author(s):

T. Mineva ◽

R. Nathaniel ◽

K. L. Kostov ◽

W. Widdra

Keyword(s):

Density Functional Theory ◽

High Resolution ◽

Energy Loss ◽

Electron Energy ◽

Electron Energy Loss Spectroscopy ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Resolution Electron ◽

Electron Energy Loss

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Electronic transfer dynamics for bridged binuclear mixed-valence compounds: Density functional theory study on electronic structure in the ground state for the Creutz–Taube ion under asymmetric distortions

The Journal of Chemical Physics ◽

10.1063/1.480456 ◽

1999 ◽

Vol 111 (24) ◽

pp. 10926-10933 ◽

Author(s):

Zhida Chen ◽

Jiang Bian ◽

Lei Zhang ◽

Shuzhou Li

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Ground State ◽

Density Functional ◽

Mixed Valence ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electronic Transfer ◽

Mixed Valence Compounds

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Density functional theory study on the electronic structure of UAl3 a nd USn3

Acta Physica Sinica ◽

10.7498/aps.52.3142 ◽

2003 ◽

Vol 52 (12) ◽

pp. 3142

Author(s):

Tan Ming-Qiu ◽

Tao Xiang-Ming ◽

Xu Xiao-Jun ◽

Cai Jian-Qiu

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Electronic Structure of Metal/Molecule//Metal Junctions: A Density Functional Theory Study of the Influence of the Molecular Terminal Group†

The Journal of Physical Chemistry B ◽

10.1021/jp053673i ◽

2006 ◽

Vol 110 (8) ◽

pp. 3493-3498 ◽

Author(s):

Q. Sun ◽

A. Selloni ◽

G. Scoles

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Density Functional ◽

Terminal Group ◽

Density Functional Theory Study ◽

Functional Theory ◽

Structure Of Metal

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Density Functional Theory Study on the Electronic Structure and Optical Properties of Sb-doped SnO2

Laser & Optoelectronics Progress ◽

10.3788/lop52.081601 ◽

2015 ◽

Vol 52 (8) ◽

pp. 081601 ◽

Author(s):

邵婷婷 Shao Tingting ◽

张富春 Zhang Fuchun ◽

崔红卫 Cui Hongwei

Keyword(s):

Density Functional Theory ◽

Optical Properties ◽

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides

The Journal of Chemical Physics ◽

10.1063/1.1888370 ◽

2005 ◽

Vol 122 (17) ◽

pp. 174709 ◽

Author(s):

F. Viñes ◽

C. Sousa ◽

P. Liu ◽

J. A. Rodriguez ◽

F. Illas

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Transition Metals ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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