Solvent Effects on the First Hyperpolarizabilities of Some Organic Chromophores: An Ab Initio Study with Self-Consistent Reaction Field (SCRF) Method
碩士 === 國立中正大學 === 化學研究所 === 88 === The molecular hyperpolarizabilities of pi-conjugated, donor-acceptor chromophores are calculated using self-consistent reaction field (SCRF) method with 6-31G, 6-31G* and 6-31+G* basis sets. Considering the solvent environment, the energy terms of the perturbation...
| Main Authors: | , |
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| Format: | Others |
| Language: | en_US |
| Published: |
2000
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| Online Access: | http://ndltd.ncl.edu.tw/handle/64051948061738683357 |