scholarly journals Comment on "Characterization of Excess Electrons in Water-Cluster Anions by Quantum Simulations"

Science ◽  
2005 ◽  
Vol 310 (5755) ◽  
pp. 1769b-1769b ◽  
Author(s):  
J. R. R. Verlet
Keyword(s):  
Water Cluster ◽  
Cluster Anions ◽  
Quantum Simulations ◽  
Excess Electrons

Efficient floating diffuse functions for accurate characterization of the surface-bound excess electrons in water cluster anions

2017 ◽  
Vol 19 (4) ◽  
pp. 2816-2825 ◽  
Author(s):  
Changzhe Zhang ◽  
Yuxiang Bu
Keyword(s):  
Water Cluster ◽  
Basis Set ◽  
Accurate Description ◽  
Cluster Anions ◽  
Excess Electrons

Efficient combination of atom-centered and floating functions in the basis set for an accurate description of excess electrons.

Benchmark calculations of excess electrons in water cluster cavities: balancing the addition of atom-centered diffuse functions versus floating diffuse functions

2016 ◽  
Vol 18 (34) ◽  
pp. 23812-23821 ◽  
Author(s):  
Changzhe Zhang ◽  
Yuxiang Bu
Keyword(s):  
Water Cluster ◽  
Excess Electrons

Diffuse functions have been proved to be especially crucial for the accurate characterization of excess electrons which are usually bound weakly in intermolecular zones far away from the nuclei.

Synthesis, chemical, and electrochemical characterization of the [Ag13{?3-Fe(CO)4}] n? (n = 3, 4, 5) cluster anions: X-Ray structural determination of [N(PPh3)2]3 [Ag12(?12-Ag){?3Fe(CO)4}8]1

1995 ◽  
Vol 6 (1) ◽  
pp. 107-123 ◽  
Author(s):  
Vincenzo G. Albano ◽  
Francesca Calderoni ◽  
Maria Carmela Iapalucci ◽  
Giuliano Longoni ◽  
Magda Monari ◽  
...  
Keyword(s):  
Electrochemical Characterization ◽  
Structural Determination ◽  
Cluster Anions ◽  
X Ray

Thermal effects on energetics and dynamics in water cluster anions (H2O)n−

2012 ◽  
Vol 136 (9) ◽  
pp. 094304 ◽  
Author(s):  
Ryan M. Young ◽  
Margaret A. Yandell ◽  
Sarah B. King ◽  
Daniel M. Neumark
Keyword(s):  
Thermal Effects ◽  
Water Cluster ◽  
Cluster Anions
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