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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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書誌詳細
主要な著者:	Abdul Razak, Fazira Ilyana, Abdul Wahab, Roswanira, Jamaludin, Rosmawati, Adamu, Aliyu
フォーマット:	論文
言語:	English
出版事項:	Penerbit UTM Press 2020
主題:	QD Chemistry
オンライン･アクセス:	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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