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...
محفوظ في:
| المؤلفون الرئيسيون: | , , , |
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| التنسيق: | مقال |
| اللغة: | English |
| منشور في: |
Penerbit UTM Press
2020
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| الموضوعات: | |
| الوصول للمادة أونلاين: | 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 |
| الوسوم: |
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