Potential-energy functions for the solvation of alkali-metal cations

1982 ◽  
Vol 78 (1) ◽  
pp. 123 ◽  
Author(s):  
Parbury P. Schmidt
Keyword(s):  
Alkali Metal ◽  
Potential Energy ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Energy Functions ◽  
Potential Energy Functions

The i-TTM model for ab initio-based ion–water interaction potentials. II. Alkali metal ion–water potential energy functions

2016 ◽  
Vol 18 (44) ◽  
pp. 30334-30343 ◽  
Author(s):  
Marc Riera ◽  
Andreas W. Götz ◽  
Francesco Paesani
Keyword(s):  
Alkali Metal ◽  
Potential Energy ◽  
Ab Initio ◽  
Water Potential ◽  
Metal Ion ◽  
Alkali Metal Ions ◽  
Water Molecules ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Water Interaction

A new set of i-TTM potential energy functions describing the interactions between alkali metal ions and water molecules is reported.

scholarly journals Complexes of Alkali Metal Cations and Molecular Hydrogen: Potential Energy Surfaces and Bound States

2019 ◽  
Vol 123 (39) ◽  
pp. 8397-8405
Author(s):  
Massimiliano Bartolomei ◽  
Tomás González-Lezana ◽  
José Campos-Martínez ◽  
Marta I. Hernández ◽  
Fernando Pirani
Keyword(s):  
Alkali Metal ◽  
Potential Energy ◽  
Molecular Hydrogen ◽  
Potential Energy Surfaces ◽  
Bound States ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Energy Surfaces

Relations between electronegativity and potential energy in the alkali metal molecules

1968 ◽  
Vol 46 (22) ◽  
pp. 2563-2565 ◽  
Author(s):  
S. Szöke ◽  
E. Baitz
Keyword(s):  
Alkali Metal ◽  
Potential Energy ◽  
Energy Function ◽  
Diatomic Molecules ◽  
Potential Energy Function ◽  
Spectroscopic Constants ◽  
Chemical Physics ◽  
Energy Functions ◽  
Spectroscopic Parameters ◽  
Potential Energy Functions

Potential energy functions can be constructed by the aid of parameters other than spectroscopic constants to render the possibility of linking different areas in chemical physics. By using a formula connecting force constants of diatomic molecules and bonds in polyatomics, a potential energy function can be obtained by replacing some of the spectroscopic parameters by expressions based on the use of electronegativities.

scholarly journals The phenoxyl group-modulated interplay of cation–π and σ-type interactions in the alkali metal series

2020 ◽  
Vol 22 (46) ◽  
pp. 27105-27120
Author(s):  
Giacomo Prampolini ◽  
Marco d'Ischia ◽  
Alessandro Ferretti
Keyword(s):  
Alkali Metal ◽  
Noncovalent Interactions ◽  
Metal Cations ◽  
Alkali Metal Cations ◽  
Striking Effect

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.

Influence of Alkali Metal Cations on the Photodimerization of Bromo Cinnamates Studied by Solid-State NMR

2020 ◽  
Vol 124 (50) ◽  
pp. 27614-27620
Author(s):  
Marufa Zahan ◽  
He Sun ◽  
Sophia E. Hayes ◽  
Harald Krautscheid ◽  
Jürgen Haase ◽  
...  
Keyword(s):  
Solid State ◽  
Alkali Metal ◽  
Solid State Nmr ◽  
Metal Cations ◽  
Alkali Metal Cations

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
Keyword(s):  
Alkali Metal ◽  
Force Fields ◽  
Van Der Waals ◽  
Metal Cations ◽  
Class Ii ◽  
Alkali Metal Cations ◽  
Halide Anions
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