Theoretical Study on Metalloporphyrins with Large Second-order Hyperpolarizabilities
نویسندگان
چکیده
منابع مشابه
Theoretical study on superalkali (Li3) in ammonia: novel alkalides with considerably large first hyperpolarizabilities.
Superalkali Li3 dissolved in gaseous ammonia is investigated by density functional theory. Similar to the lithium atom, Li3 can coordinate up to four ammonia molecules. Among the structural isomers of Li3(NH3)n (n = 1-4), the one with separately distributed NH3 ligands is preferred. Most of the Li3(NH3)n species possess the alkalide characteristics and exhibit considerably large static first hy...
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ژورنال
عنوان ژورنال: Journal of Chemical Research
سال: 1999
ISSN: 1747-5198,2047-6507
DOI: 10.1177/174751989902300245