Theoretical Study on the Excess Electron Binding Mechanism in the [CH3NO2·(H2O)n]−(n= 1−6) Anion Clusters

2010 ◽  
Vol 114 (34) ◽  
pp. 8939-8947 ◽  
Author(s):  
Haruki Motegi ◽  
Toshiyuki Takayanagi ◽  
Takao Tsuneda ◽  
Kiyoshi Yagi ◽  
Ryuzo Nakanishi ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Excess Electron ◽  
Binding Mechanism ◽  
Anion Clusters ◽  
Electron Binding

A theoretical study on novel alkaline earth-based excess electron compounds: unique alkalides with considerable nonlinear optical responses

2015 ◽  
Vol 17 (6) ◽  
pp. 4524-4532 ◽  
Author(s):  
Wei-Ming Sun ◽  
Di Wu ◽  
Ying Li ◽  
Jia-Yuan Liu ◽  
Hui-Min He ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Nonlinear Optical ◽  
Alkaline Earth ◽  
Theoretical Study ◽  
Excess Electron ◽  
Optical Responses ◽  
Electron Compounds ◽  
Metal Anions

A series of novel excess electron compounds M(NH3)6NaCl and M(NH3)6Na2 (M = Mg and Ca) were designed, in which the lowest-energy M(NH3)6Na2 compounds are the first alkalides containing double alkali metal anions.

An excess electron binding to the `purple' zwitterion quinonoid

2002 ◽  
Vol 362 (5-6) ◽  
pp. 527-533 ◽  
Author(s):  
Agnieszka Sawicka ◽  
Piotr Skurski ◽  
Jack Simons
Keyword(s):  
Excess Electron ◽  
Electron Binding

Theoretical Study of Dimethyl Sulfoxide−Anion Clusters

1996 ◽  
Vol 100 (40) ◽  
pp. 16137-16140 ◽  
Author(s):  
Peeter Burk ◽  
Uldo Mölder ◽  
Ilmar A. Koppel ◽  
Alar Rummel ◽  
Aleksander Trummal
Keyword(s):  
Dimethyl Sulfoxide ◽  
Theoretical Study ◽  
Anion Clusters

Excess‐electron alkali halide clusters Kn+1Cln and Lin+1Fn: A theoretical study

1994 ◽  
Vol 101 (7) ◽  
pp. 5977-5986 ◽  
Author(s):  
Christian Ochsenfeld ◽  
Reinhart Ahlrichs
Keyword(s):  
Alkali Halide ◽  
Theoretical Study ◽  
Excess Electron
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