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

Electronic Structure ◽

Density Functional ◽

Structure Study ◽

Functional Theory ◽

Electron Momentum ◽

Electron Momentum Spectroscopy

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 ◽

Cited By ~ 12

Author(s):

F. Wang ◽

H. Mackenzie-Ross ◽

D. A. Winkler ◽

I. E. McCarthy ◽

L. Campbell ◽

...

Keyword(s):

Electronic Structure ◽

High Resolution ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electron Momentum ◽

Resolution Electron ◽

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 ◽

Cited By ~ 24

Author(s):

W. Adcock ◽

M. J. Brunger ◽

I. E. McCarthy ◽

M. T. Michalewicz ◽

W. von Niessen ◽

...

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Spectroscopy Study ◽

Functional Theory ◽

Electron Momentum ◽

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):

Electronic Structure ◽

Ethylene Oxide ◽

Density Functional ◽

Functional Theory ◽

Electron Momentum ◽

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 ◽

Cited By ~ 15

Author(s):

K L Nixon ◽

F Wang ◽

L Campbell ◽

T Maddern ◽

D Winkler ◽

...

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

Electron Momentum ◽

Outer Valence ◽

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):

Photoelectron Spectroscopy ◽

Density Functional ◽

Functional Theory ◽

Electron Momentum ◽

X Ray ◽

X Ray Crystallography ◽

Electron Momentum Spectroscopy

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 ◽

Cited By ~ 10

Author(s):

M. J. Brunger ◽

D. A. Winkler ◽

M. T. Michalewicz ◽

E. Weigold

Keyword(s):

Density Functional ◽

Molecular Property ◽

Functional Theory ◽

Electron Momentum ◽

Momentum Distributions

Electronic structure study of vanadium spinels by using density functional theory and dynamical-mean-field theory

EPL (Europhysics Letters) ◽

10.1209/0295-5075/117/37002 ◽

2017 ◽

Vol 117 (3) ◽

pp. 37002 ◽

Cited By ~ 4

Author(s):

Sohan Lal ◽

Sudhir K. Pandey

Keyword(s):

Field Theory ◽

Electronic Structure ◽

Density Functional ◽

Mean Field Theory ◽

Mean Field ◽

Structure Study ◽

Dynamical Mean Field Theory ◽

Functional Theory

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 ◽

Density Functional Theory Calculations ◽

Electron Densities ◽

Functional Theory ◽

Electron Momentum ◽

Hartree Fock ◽

Orbital Electron

Electronic structure study using density functional theory in organic dendrimers

Journal of Molecular Modeling ◽

10.1007/s00894-010-0894-2 ◽

2010 ◽

Vol 17 (8) ◽

pp. 1963-1972 ◽

Author(s):

Rocio-Margarita Gutiérrez-Pérez ◽

Norma Flores-Holguín ◽

Daniel Glossmann-Mitnik ◽

Luz-Maria Rodriguez-Valdez

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Structure Study ◽

Functional Theory

Electronic Structure Study of the N2O Isomers Using Post-Hartree−Fock and Density Functional Theory Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp9930088 ◽

2000 ◽

Vol 104 (6) ◽

pp. 1304-1310 ◽

Cited By ~ 25

Author(s):

Feng Wang ◽

Richard D. Harcourt

Keyword(s):

Electronic Structure ◽

Density Functional ◽

Density Functional Theory Calculations ◽

Structure Study ◽

Functional Theory ◽

Hartree Fock