Electron affinities of CO2, OCS, and CS2

1998 ◽  
Vol 108 (16) ◽  
pp. 6756-6762 ◽  
Author(s):  
Gennady L. Gutsev ◽  
Rodney J. Bartlett ◽  
Robert N. Compton
Keyword(s):  
Electron Affinities

Adiabatic electron affinities of PF5 and SF6: a coupled-cluster study

1998 ◽  
Vol 94 (1) ◽  
pp. 121-125 ◽  
Author(s):  
Gennady GUTSEV ◽  
RODNEY BARTLETT
Keyword(s):  
Coupled Cluster ◽  
Electron Affinities

scholarly journals Predicting the new carbon nanocages, fullerynes: a DFT study

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Mohammad Qasemnazhand ◽  
Farhad Khoeini ◽  
Farah Marsusi
Keyword(s):  
Density Functional Theory ◽  
Lithium Ion Batteries ◽  
Density Functional ◽  
Lithium Ion ◽  
The Other ◽  
Electron Affinities ◽  
Chemical Formula ◽  
Functional Theory ◽  
Triple Bonds ◽  
Structural And Electronic Properties

AbstractIn this study, based on density functional theory, we propose a new branch of pseudo-fullerenes which contain triple bonds with sp hybridization. We call these new nanostructures fullerynes, according to IUPAC. We present four samples with the chemical formula of C4nHn, and the structures derived from fulleranes. We compare the structural and electronic properties of these structures with those of two common fullerenes and fulleranes systems. The calculated electron affinities of the sampled fullerynes are negative, and much smaller than those of fullerenes, so they should be chemically more stable than fullerenes. Although fulleranes also exhibit higher chemical stability than fullerynes, but pentagon or hexagon of the fullerane structures cannot pass ions and molecules. Applications of fullerynes can be included in the storage of ions and gases at the nanoscale. On the other hand, they can also be used as cathode/anode electrodes in lithium-ion batteries.

Electron affinities of benzaldehydes. Substituent effects on stabilities of aromatic radical anions

1993 ◽  
Vol 34 (26) ◽  
pp. 4223-4226 ◽  
Author(s):  
Masaaki Mishima ◽  
Chul Huh ◽  
Hirotaka Nakamura ◽  
Mizue Fujio ◽  
Yuho Tsuno
Keyword(s):  
Substituent Effects ◽  
Radical Anions ◽  
Electron Affinities ◽  
Aromatic Radical

On the electron affinities of hexafluorides CrF6, MoF6, and WF6

1988 ◽  
Vol 89 (7) ◽  
pp. 4193-4198 ◽  
Author(s):  
Eisaku Miyoshi ◽  
Yoshiko Sakai ◽  
Akinori Murakami ◽  
Hiroaki Iwaki ◽  
Hidemi Terashima ◽  
...  
Keyword(s):  
Electron Affinities

Electron Affinities of the Bromine Fluorides, BrFn(n= 1−7)

1998 ◽  
Vol 120 (43) ◽  
pp. 11115-11121 ◽  
Author(s):  
Chaeho Pak ◽  
Yaoming Xie ◽  
Timothy J. Van Huis ◽  
Henry F. Schaefer
Keyword(s):  
Electron Affinities
Sign in / Sign up

Export Citation Format

Share Document