A “slow-cooling” Monte Carlo conformational space study of 18-crown-6 and its alkali metal cation complexes

1994 ◽  
Vol 308 ◽  
pp. 125-140 ◽  
Author(s):  
László von Szentpály ◽  
Igor L. Shamovsky ◽  
Veronica V. Nefedova ◽  
Vladimir E. Zubkus
Keyword(s):  
Monte Carlo ◽  
Alkali Metal ◽  
Metal Cation ◽  
Alkali Metal Cation ◽  
Conformational Space ◽  
Slow Cooling ◽  
Cation Complexes

Effects of Basis Set Superposition Error on Optimized Geometries and Complexation Energies of Organo-Alkali Metal Cation Complexes

2009 ◽  
Vol 113 (2) ◽  
pp. 513-519 ◽  
Author(s):  
Chang Kon Kim ◽  
Hui Zhang ◽  
Sung Hoon Yoon ◽  
Jongok Won ◽  
Myung-Jin Lee ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Metal Cation ◽  
Alkali Metal Cation ◽  
Basis Set ◽  
Basis Set Superposition Error ◽  
Cation Complexes ◽  
Optimized Geometries
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