Electron-donating ability of ethyl and ethenyl groups from core-electron spectroscopy and ab initio theory. A study of CH3CH2X and CH2CHX (X = F, Cl, Br, I)

1987 ◽  
Vol 91 (15) ◽  
pp. 3969-3974 ◽  
Author(s):  
M. R. F. Siggel ◽  
G. S. Nolan ◽  
L. J. Saethre ◽  
T. D. Thomas ◽  
L. Ungier
Keyword(s):  
Ab Initio ◽  
Electron Spectroscopy ◽  
Core Electron ◽  
Ab Initio Theory

ChemInform Abstract: Electron-Donating Ability of Ethyl and Ethenyl Groups from Core-Electron Spectroscopy and ab initio Theory. A Study of CH3CH2X and CH2CHX (X: F, Cl, Br, I).

ChemInform ◽  
1987 ◽  
Vol 18 (45) ◽  
Author(s):  
M. R. F. SIGGEL ◽  
G. S. NOLAN ◽  
L. J. SAETHRE ◽  
T. D. THOMAS ◽  
L. UNGIER
Keyword(s):  
Ab Initio ◽  
Electron Spectroscopy ◽  
Core Electron ◽  
Ab Initio Theory

CORE ELECTRON SPECTROSCOPY OF SURFACE LAYERS ON LIQUID SUBSTRATES

1987 ◽  
Vol 48 (C9) ◽  
pp. C9-955-C9-959 ◽  
Author(s):  
S. HOLMBERG ◽  
R. MOBERG ◽  
O. BOHMAN ◽  
H. SIEGBAHN
Keyword(s):  
Electron Spectroscopy ◽  
Surface Layers ◽  
Core Electron

scholarly journals Chemisorption of oxygen and aluminum on the GaAs (110) surface from ab initio theory

1980 ◽  
Vol 17 (1) ◽  
pp. 164-168 ◽  
Author(s):  
John J. Barton ◽  
Coenraad A. Swarts ◽  
William A. Goddard ◽  
T. C. McGill
Keyword(s):  
Ab Initio ◽  
Ab Initio Theory

Ab initio theory calculations of the electronic structure of nc-As2S3 and GeS2: an intrinsic mechanism for reversible photo-darkening

2004 ◽  
Vol 338-340 ◽  
pp. 543-547 ◽  
Author(s):  
T Mowrer ◽  
G Lucovsky ◽  
L.S Sremaniak ◽  
J.L Whitten
Keyword(s):  
Electronic Structure ◽  
Ab Initio ◽  
Ab Initio Theory ◽  
Intrinsic Mechanism

Ab Initio Theory of the Equations of State for Light Rare-Gas Crystals

2019 ◽  
pp. 213-229
Author(s):  
Ievgen Ie. Gorbenko ◽  
Elena P. Troitskaya ◽  
Ekaterina A. Pilipenko ◽  
Ilya A. Verbenko ◽  
Yuriy I. Yurasov
Keyword(s):  
Ab Initio ◽  
Equations Of State ◽  
Rare Gas ◽  
Ab Initio Theory

scholarly journals Dzyaloshinskii-Moriya interaction at disordered interfaces from ab initio theory: Robustness against intermixing and tunability through dusting

2018 ◽  
Vol 113 (23) ◽  
pp. 232403 ◽  
Author(s):  
Bernd Zimmermann ◽  
William Legrand ◽  
Davide Maccariello ◽  
Nicolas Reyren ◽  
Vincent Cros ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Theory ◽  
Moriya Interaction
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