Tuning of nonlinear optic response properties for ruthenium alkynyl complexes via computational-guided structural tailoring
Hartree Fock (HF) and density functional theory (DFT) methods based on a 3-21G set level were used to computationally assess the nonlinear optic (NLO) response of six ruthenium (Ru) arylalkynyl complexes. The low basis set of 3-21G was proved to provide adequate results with difference of only about...
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| Main Authors: | , , , |
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| 格式: | Article |
| 语言: | English |
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Penerbit UTM Press
2020
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| 在线阅读: | http://eprints.utm.my/id/eprint/90955/1/FaziraIlyanaAbdul2020_TuningofNonlinearOpticResponseProperties.pdf http://eprints.utm.my/id/eprint/90955/ http://dx.doi.org/10.11113/mjfas.v16n4.1682 |
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