Ionization energies, Coulomb explosion, fragmentation, geometric, and electronic structures of multicharged boron clusters Bn(n=2–13)

2011 ◽  
Vol 84 (7) ◽  
Author(s):  
Nurten Akman ◽  
Murat Tas ◽  
Cem Özdoğan ◽  
Ihsan Boustani
Keyword(s):  
Electronic Structures ◽  
Coulomb Explosion ◽  
Ionization Energies ◽  
Boron Clusters

A detailed investigation into the geometric and electronic structures of CoBQn (n = 2–10, Q = 0, −1) clusters

2017 ◽  
Vol 41 (19) ◽  
pp. 11208-11214 ◽  
Author(s):  
Peifang Li ◽  
Guoliang Sun ◽  
Jianping Bai ◽  
Weihua Wang ◽  
Gang Bao ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Size Dependence ◽  
Lumo Energy ◽  
Boron Clusters ◽  
Energy Gaps ◽  
Homo Lumo ◽  
Co Doped

The size dependence of HOMO–LUMO energy gaps of Co doped boron clusters.

The Hei and HeH Photoelectron Spectra of [Fe*?3-C3H5(CO)3X] and [Fe^3-C4H7 (CO)3X] (X = Cl, Br, I) and [CoC3H5(CO)3]

1982 ◽  
Vol 37 (2) ◽  
pp. 179-185 ◽  
Author(s):  
Jaap N. Louwen ◽  
Jaap Hart ◽  
Derk J. Stufkens ◽  
Ad Oskam
Keyword(s):  
Photoelectron Spectroscopy ◽  
Electronic Structures ◽  
Lone Pair ◽  
Iron Complexes ◽  
Photoelectron Spectra ◽  
Pair Type ◽  
Ionization Energies ◽  
Uv Photoelectron Spectroscopy

Abstract By means of UV photoelectron spectroscopy (UPS) the electronic structures of [Feη3.C3H5(CO)3X], [Feη3-(2-CH3C3H4)(CO)3X] (X = Cl, Br, I) and [Co(C3H5)(CO)3] have been studied. Detailed assignments are possible and surprisingly low ionization energies (as low as 8.19 eV) are found for iodine lone pair type Orbitals. From the spectra a large difference in π backbonding is found between the cobalt and iron complexes

scholarly journals Singly and doubly lithium doped silicon clusters: Geometrical and electronic structures and ionization energies

2012 ◽  
Vol 136 (2) ◽  
pp. 024301 ◽  
Author(s):  
Nguyen Minh Tam ◽  
Vu Thi Ngan ◽  
Jorg de Haeck ◽  
Soumen Bhattacharyya ◽  
Hai Thuy Le ◽  
...  
Keyword(s):  
Electronic Structures ◽  
Silicon Clusters ◽  
Ionization Energies ◽  
Doped Silicon

Fragmentation and Coulomb explosion of multicharged small boron clusters

2012 ◽  
Vol 85 (23) ◽  
Author(s):  
Murat Tas ◽  
Nurten Akman ◽  
Cem Özdoğan ◽  
Ihsan Boustani
Keyword(s):  
Coulomb Explosion ◽  
Boron Clusters

Atomic and Electronic Structures of Boron Clusters in Crystalline Silicon: The Case of X@B6 and X@B12, X=H–Br

2008 ◽  
pp. 89-102
Author(s):  
Yoshitsune Higashiguchi ◽  
Hiroaki Ochiai ◽  
Kazuyuki Igei ◽  
Kengo Ohmori ◽  
Yoshinori Hayafuji
Keyword(s):  
Electronic Structures ◽  
Crystalline Silicon ◽  
Boron Clusters

Ionization energies and photoelectron spectra of fat-soluble vitamins in the gas phase: a theoretical study

RSC Advances ◽  
2014 ◽  
Vol 4 (68) ◽  
pp. 35975-35987 ◽  
Author(s):  
Fatemeh Abyar ◽  
Hossein Farrokhpour
Keyword(s):  
Retinoic Acid ◽  
Gas Phase ◽  
Electronic Structures ◽  
Theoretical Study ◽  
Photoelectron Spectra ◽  
Ionization Energies ◽  
Fat Soluble Vitamins

The electronic structures and photoelectron spectra of several fat-soluble vitamins including A (all-trans-retinol and its two derivatives, 13-cis-retinoic acid and all-trans-retinoic acid), D2, D3, E (consisting of α-tocopherol, β-tocopherol, γ-tocopherol and δ-tocopherol) and K were studied theoretically in this work.

Ionization energies and Coulomb explosion of highly charged C60

1996 ◽  
Vol 211 (6) ◽  
pp. 357-362 ◽  
Author(s):  
G. Seifert ◽  
R. Gutierrez ◽  
R. Schmidt
Keyword(s):  
Coulomb Explosion ◽  
Ionization Energies
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