Derivation of Class II Force Fields. 4. van der Waals Parameters of Alkali Metal Cations and Halide Anions

1997 ◽  
Vol 101 (39) ◽  
pp. 7243-7252 ◽  
Author(s):  
Zhengwei Peng ◽  
Carl S. Ewig ◽  
Ming-Jing Hwang ◽  
Marvin Waldman ◽  
Arnold T. Hagler
2020 ◽  
Vol 22 (46) ◽  
pp. 27105-27120
Author(s):  
Giacomo Prampolini ◽  
Marco d'Ischia ◽  
Alessandro Ferretti

An extensive exploration of the interaction PESs of phenol and catechol complexes with alkali metal cations reveals a striking effect of –OH substitution on the balance between cation-π and σ-type noncovalent interactions.


2020 ◽  
Vol 124 (50) ◽  
pp. 27614-27620
Author(s):  
Marufa Zahan ◽  
He Sun ◽  
Sophia E. Hayes ◽  
Harald Krautscheid ◽  
Jürgen Haase ◽  
...  

1980 ◽  
Vol 84 (9) ◽  
pp. 994-999 ◽  
Author(s):  
Haruo Shizuka ◽  
Kiyoshi Takada ◽  
Toshifumi Morita

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