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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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 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 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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Electron Momentum Spectroscopy Study on the Valence Electronic Structure of Dimethyl Sulfide Considering Vibrational Effects

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c07438 ◽

2020 ◽

Vol 124 (41) ◽

pp. 8551-8561

Author(s):

ZhaoHui Liu ◽

YaGuo Tang ◽

ShanShan Niu ◽

Xu Shan ◽

ChunKai Xu ◽

...

Keyword(s):

Electronic Structure ◽

Dimethyl Sulfide ◽

Spectroscopy Study ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Valence Electronic Structure

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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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Electron momentum spectroscopy study of outer valence electronic structure of pyrrole

Chemical Physics ◽

10.1016/j.chemphys.2018.09.041 ◽

2019 ◽

Vol 517 ◽

pp. 54-59 ◽

Author(s):

Zhean Li ◽

Yaguo Tang ◽

Zhaohui Liu ◽

Shanshan Niu ◽

Xu Shan ◽

...

Keyword(s):

Electronic Structure ◽

Spectroscopy Study ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Outer Valence ◽

Valence Electronic Structure

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Electron-momentum-spectroscopy study on the valence electronic structure of methyl iodide: Electron correlation and relativistic effects

Physical Review A ◽

10.1103/physreva.99.022512 ◽

2019 ◽

Vol 99 (2) ◽

Author(s):

Shanshan Niu ◽

Yaguo Tang ◽

Zhaohui Liu ◽

Yufeng Shi ◽

Enliang Wang ◽

...

Keyword(s):

Electronic Structure ◽

Methyl Iodide ◽

Electron Correlation ◽

Relativistic Effects ◽

Spectroscopy Study ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Valence Electronic Structure

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Electron momentum spectroscopy study on the valence electronic structure of methyl formate

The Journal of Chemical Physics ◽

10.1063/1.5097201 ◽

2019 ◽

Vol 150 (19) ◽

pp. 194306 ◽

Author(s):

Noboru Watanabe ◽

Kimihiro Sato ◽

Masahiko Takahashi

Keyword(s):

Electronic Structure ◽

Methyl Formate ◽

Spectroscopy Study ◽

Electron Momentum ◽

Electron Momentum Spectroscopy ◽

Valence Electronic Structure

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