Y. Ishikawa et al., STABLE STRUCTURES OF NA(H2O)(N) (N=1-3) CLUSTERS BY AB-INITIO SIMULATED ANNEALING, International journal of quantum chemistry, 1995, pp. 669-674
Minimum-energy structures of clusters of one sodium atom and as many a
s three water molecules have been calculated by combining the method o
f ab initio Monte Carlo simulated annealing with conventional optimiza
tion methods. 6-31G basis sets have been employed, and each structure
was optimized at the MP2 (frozen core) level of theory. (C) 1995 John
Wiley & Sons, Inc.