ChemInform Abstract: A Gaussian-3 Theoretical Study of Small Silicon-Lithium Clusters: Electronic Structures and Electron Affinities of SinLi-(n = 2-8).

ChemInform ◽  
2009 ◽  
Vol 40 (3) ◽  
Author(s):  
Dongsheng Hao ◽  
Jinrong Liu ◽  
Jucai Yang
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Electron Affinities ◽  
Lithium Clusters

Regioisomer-specific electron affinities and electronic structures of C70para-adducts at polar and equatorial positions with (bromo)benzyl radicals: photoelectron spectroscopy and theoretical study

2016 ◽  
Vol 18 (28) ◽  
pp. 18683-18686
Author(s):  
Gao-Lei Hou ◽  
Lei-Jiao Li ◽  
Shu-Hui Li ◽  
Zhong-Ming Sun ◽  
Xiang Gao ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Theoretical Study ◽  
Negative Ion ◽  
Electron Affinities ◽  
Benzyl Radicals

Negative ion photoelectron spectroscopy shows that the electron affinities of 2,5-polar adducts of C70 are higher than their 7,23-equatorial counterparts.

scholarly journals An MO-Theoretical Study of the Electronic Structures of Formyloxyl and Acetoxyl Radicals

1977 ◽  
Vol 50 (5) ◽  
pp. 1339-1340 ◽  
Author(s):  
Osamu Kikuchi ◽  
Kayoko Utsumi ◽  
Keizo Suzuki
Keyword(s):  
Electronic Structures ◽  
Theoretical Study

Theoretical study on dinitrogen complexes. Relation between facility of protonation and difference of electronic structures of d6 and d8 complexes

1984 ◽  
Vol 62 (7) ◽  
pp. 1329-1332 ◽  
Author(s):  
Kenzi Hori ◽  
Tokio Yamabe
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Nitrogen Molecule ◽  
Dinitrogen Complexes

Electronic structures of different d configurations have been studied in relation to the facility of protonation to dinitrogen ligand in Cr(0) and Co(I) complexes. The d6 Cr complex has much better MO's for protonation than the d8 Co complex. This difference largely affects the protonation energies and the reduction of nitrogen molecule in these complexes.

Theoretical Study of Electronic Structures of [Peroxoporphinato]manganate [Mn(P)(O2)]−Anion

2006 ◽  
Vol 79 (8) ◽  
pp. 1201-1210 ◽  
Author(s):  
Yasunori Yoshioka ◽  
Hideaki Sano ◽  
Masaki Mitani
Keyword(s):  
Electronic Structures ◽  
Theoretical Study

A theoretical study of the local electronic structures of SiC polytypes

1997 ◽  
Vol 9 (1) ◽  
pp. 165-175 ◽  
Author(s):  
G Cubiotti ◽  
Yu N Kucherenko ◽  
V N Antonov
Keyword(s):  
Electronic Structures ◽  
Theoretical Study

Theoretical study of atomic and electronic structures of atomic wires on an H-terminated Si(100)2×1 surface

1996 ◽  
Vol 54 (24) ◽  
pp. R17308-R17311 ◽  
Author(s):  
Satoshi Watanabe ◽  
Yoshimasa A. Ono ◽  
Tomihiro Hashizume ◽  
Yasuo Wada
Keyword(s):  
Electronic Structures ◽  
Theoretical Study ◽  
Atomic Wires
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