Rational Design of Nonbonded Point Charge Models for Monovalent Ions with Lennard-Jones 12–6 Potential

2021 ◽  
Author(s):  
Yejie Qiu ◽  
Yang Jiang ◽  
Yongguang Zhang ◽  
Haiyang Zhang
Keyword(s):  
Point Charge ◽  
Rational Design ◽  
Point Charge Models ◽  
Lennard Jones ◽  
Monovalent Ions

Rational Design of Nonbonded Point Charge Models for Highly Charged Metal Cations with Lennard-Jones 12-6 Potential

2021 ◽  
Vol 61 (9) ◽  
pp. 4613-4629
Author(s):  
Yongguang Zhang ◽  
Yang Jiang ◽  
Yejie Qiu ◽  
Haiyang Zhang
Keyword(s):  
Point Charge ◽  
Rational Design ◽  
Metal Cations ◽  
Point Charge Models ◽  
Lennard Jones

Rational design of monovalent ions (Li, Na, K) co-doped ZnAl2O4:Eu3+ nanocrystals enabling versatile robust latent fingerprint visualization

2019 ◽  
Vol 37 (7) ◽  
pp. 699-705 ◽  
Author(s):  
F. Femila Komahal ◽  
H. Nagabhushana ◽  
R.B. Basavaraj ◽  
G.P. Darshan ◽  
Hajeebaba K. Inamdar ◽  
...  
Keyword(s):  
Rational Design ◽  
Latent Fingerprint ◽  
Monovalent Ions ◽  
Co Doped

scholarly journals Correction to “Convergence of Excitation Energies in Mixed Quantum and Classical Solvent: Comparison of Continuum and Point Charge Models”

2017 ◽  
Vol 121 (10) ◽  
pp. 2372-2372 ◽  
Author(s):  
Makenzie R. Provorse ◽  
Thomas Peev ◽  
Chou Xiong ◽  
Christine M. Isborn
Keyword(s):  
Point Charge ◽  
Excitation Energies ◽  
Point Charge Models

A novel approach for designing simple point charge models for liquid water with three interaction sites

2003 ◽  
Vol 24 (9) ◽  
pp. 1087-1096 ◽  
Author(s):  
Alice Glättli ◽  
Xavier Daura ◽  
Wilfred F. Van Gunsteren
Keyword(s):  
Liquid Water ◽  
Point Charge ◽  
Simple Point ◽  
Point Charge Models ◽  
Interaction Sites ◽  
Novel Approach

Opsin shifts in bovine rhodopsin and bacteriorhodopsin. Comparison of two external point-charge models

1980 ◽  
Vol 102 (27) ◽  
pp. 7947-7949 ◽  
Author(s):  
Michael G. Motto ◽  
Mordechai Sheves ◽  
Kazuo Tsujimoto ◽  
Valeria Balogh-Nair ◽  
Koji Nakanishi
Keyword(s):  
Point Charge ◽  
Point Charge Models ◽  
Bovine Rhodopsin ◽  
External Point
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