Alkali metal cation-ligand affinities: Basis set superposition correction for the Gaussian protocols

2001 ◽  
Vol 114 (16) ◽  
pp. 7045-7051 ◽  
Author(s):  
F. M. Siu ◽  
N. L. Ma ◽  
C. W. Tsang
Keyword(s):  
Alkali Metal ◽  
Metal Cation ◽  
Alkali Metal Cation ◽  
Basis Set

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

An extended basis set ab initio study of alkali metal cation–water clusters

1995 ◽  
Vol 103 (9) ◽  
pp. 3526-3542 ◽  
Author(s):  
David Feller ◽  
Eric D. Glendening ◽  
David E. Woon ◽  
Martin W. Feyereisen
Keyword(s):  
Alkali Metal ◽  
Ab Initio ◽  
Metal Cation ◽  
Water Clusters ◽  
Alkali Metal Cation ◽  
Basis Set ◽  
Ab Initio Study ◽  
Extended Basis

Conformational effect on the preferential binding of alkali metal cation with crown ether: A molecular level investigation

2009 ◽  
Vol 12 (1-3) ◽  
pp. 93-99 ◽  
Author(s):  
Sulagna De ◽  
Sk. Musharaf Ali ◽  
M.R.K. Shenoi ◽  
Sandip K. Ghosh ◽  
Dilip K. Maity
Keyword(s):  
Crown Ether ◽  
Alkali Metal ◽  
Metal Cation ◽  
Molecular Level ◽  
Alkali Metal Cation ◽  
Conformational Effect ◽  
Preferential Binding

Dynamic chiral-at-metal stability of tetrakis(d/l-hfc)Ln(iii) complexes capped with an alkali metal cation in solution

2012 ◽  
Vol 41 (22) ◽  
pp. 6696 ◽  
Author(s):  
Yiji Lin ◽  
Fang Zou ◽  
Shigang Wan ◽  
Jie Ouyang ◽  
Lirong Lin ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Metal Cation ◽  
Alkali Metal Cation
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