福建省自然科学基金(2006F3133)

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TDDFT Study on the Electronic Excitations and First Hyperpolarizabilities of Mixed-metal Carbonyl Clusters W_2Ir_2(μ-L)(CO)_8(η～5-C_5H_4Me)_2(L=dppe/dppf)
《Chinese Journal of Structural Chemistry》2009年第1期99-105,共7页李福君 洒荣建 吴克琛 
Supported by the National Natural Science Foundation of China (20573114);the MOST (2006DFA43020);Natural Science Foundation of Fujian Province (2006F3133)
Mixed-metal carbonyl clusters of W2Ir2（CO）10（η^5-C5H4Me）2 1 and W2Ir2（μ-L）（CO）8（η^5-C5H4Me）2 （L = dppe 2, dppf 3） have been studied by TDDFT method focusing on their electronic and nonlinear optical pro...
关键词：TDDFT UV-vis spectrum transition metal nonlinear optical 
Ligand-controlled First Hyperpolarizabilities of a Series of Tetrahedral Iridium Clusters Ir_4(CO)_9L: a TDDFT Study
《Chinese Journal of Structural Chemistry》2009年第1期106-112,共7页李福君 洒荣建 吴克琛 
Supported by the National Natural Science Foundation of China (20573114);the MOST (2006DFA43020);Natural Science Foundation of Fujian Province (2006F3133 and 13071062)
A series of tetrahedral iridium carbonyl clusters coordinated by systematically varied series of ligands have been studied by TDDFT method focusing on their electronic and non- linear optical properties. The clusters ...
关键词：TDDFT UV-vis spectrum iridium duster nonlinear optical 
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