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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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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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 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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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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The SCO (OCS) edward-lemieux effect is controlled by a P-orbital on oxygen. Evidence from electron momentum spectroscopy, photoelectron spectroscopy, X-ray crystallography, and density functional theory

Israel Journal of Chemistry ◽

10.1560/dy9j-0f0n-uuy5-7clb ◽

2000 ◽

Vol 40 (3-4) ◽

pp. 343-355 ◽

Author(s):

Saul Wolfe ◽

Zheng Shi

Keyword(s):

Density Functional Theory ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Electron Momentum ◽

X Ray ◽

X Ray Crystallography ◽

Electron Momentum Spectroscopy

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Momentum distributions and molecular property information for trans 1,3 butadiene: An electron momentum spectroscopy and density functional theory investigation

The Journal of Chemical Physics ◽

10.1063/1.475564 ◽

1998 ◽

Vol 108 (5) ◽

pp. 1859-1873 ◽

Author(s):

M. J. Brunger ◽

D. A. Winkler ◽

M. T. Michalewicz ◽

E. Weigold

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Molecular Property ◽

Functional Theory ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Momentum Distributions

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Norbornane: An investigation into its valence electronic structure using electron momentum spectroscopy, and density functional and Green’s function theories

The Journal of Chemical Physics ◽

10.1063/1.1799014 ◽

2004 ◽

Vol 121 (21) ◽

pp. 10525-10541 ◽

Author(s):

S. Knippenberg ◽

K. L. Nixon ◽

M. J. Brunger ◽

T. Maddern ◽

L. Campbell ◽

...

Keyword(s):

Electronic Structure ◽

Green’S Function ◽

Green's Function ◽

Density Functional ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Valence Electronic Structure

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Orbital electron densities of ethane: Comparison of electron momentum spectroscopy measurements with near Hartree–Fock limit and density functional theory calculations

The Journal of Chemical Physics ◽

10.1063/1.1498816 ◽

2002 ◽

Vol 117 (10) ◽

pp. 4839-4845 ◽

Author(s):

J. K. Deng ◽

G. Q. Li ◽

X. D. Wang ◽

J. D. Huang ◽

H. Deng ◽

...

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Electron Densities ◽

Functional Theory ◽

Electron Momentum ◽

Hartree Fock ◽

Electron Momentum Spectroscopy ◽

Orbital Electron

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Valence Electronic Structure of Benzo-2,1,3-chalcogenadiazoles Studied by Photoelectron Spectroscopy and Density Functional Theory

Inorganic Chemistry ◽

10.1021/ic800055c ◽

2008 ◽

Vol 47 (14) ◽

pp. 6220-6226 ◽

Author(s):

Anthony F. Cozzolino ◽

Nadine E. Gruhn ◽

Dennis L. Lichtenberger ◽

Ignacio Vargas-Baca

Keyword(s):

Density Functional Theory ◽

Electronic Structure ◽

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Valence Electronic Structure

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Investigation into the Valence Electronic Structure of Norbornene Using Electron Momentum Spectroscopy, Green's Function, and Density Functional Theories

The Journal of Physical Chemistry A ◽

10.1021/jp058158z ◽

2005 ◽

Vol 109 (41) ◽

pp. 9324-9340 ◽

Author(s):

S. Knippenberg ◽

K. L. Nixon ◽

H. Mackenzie-Ross ◽

M. J. Brunger ◽

F. Wang ◽

...

Keyword(s):

Electronic Structure ◽

Green’S Function ◽

Green's Function ◽

Density Functional ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Valence Electronic Structure

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