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NaCl

Sodium chloride (Wikipedia)


A P Gaiduk, C Zhang, F Gygi, G Galli, Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals, CPL 604, 89 (2014)

N Holmberg, J C Chen, A S Foster, K Laasonen, Dissolution of NaCl nanocrystals: an ab initio molecular dynamics study, PCCP 16, 17437 (2014)

F Giberti, G A Tribello, M Parrinello, Transient Polymorphism in NaCl, JCTC 9, 2526 (2013) – txt

D Chakraborty, G N Patey, How Crystals Nucleate and Grow in Aqueous NaCl Solution, JPCL 4, 573 (2013)

W Chen, C Tegenkamp, H Pfnur, T Bredow, Color centers in NaCl by hybrid functionals, PRB 82, 104106 (2010)

Y Yang, S Meng, E G Wang, Water adsorption on a NaCl (001) surface: A density functional theory study, PRB 74, 245409 (2006)

M Catti, On the P21/m and Pmmn pathways of the B1-B2 phase transition in NaCl: a quantum-mechanical study, JPC 16, 3909 (2004)

J L Gavartin, P V Sushko, A L Shluger, Modeling charge self-trapping in wide-gap dielectrics: Localization problem in local density functionals, PRB 67, 035108 (2003)

V Perebeinos, P B Allen, M Weinert, First-principles calculations of the self-trapped exciton in crystalline NaCl, PRB 62, 12589 (2000)

A Shi, M Wortis, Relaxation of surface atoms in NaC1: Influence on the equilibrium crystal shape, PRB 47, 9804 (1993)