Piridin Benzimidazol Türevlerinin NLO Özelliklerin İncelenmesi: Ab-Initio Yaklaşımı

Clicks: 255
ID: 96130
2018
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Abstract
Piridin benzimidazol ve türevlerinin kuantum kimyasal hesaplama analizleri, gaz fazında, HF/6-31+G(d) seviyesinde yapıldı. Bu bileşiklerin geometrik parametreleri, IR spektrumları, 1H- ve 13C-NMR spektrumları detaylı şekilde incelendi. Bu analizlere ek olarak, lineer olmayan optik (NLO) özellikler ile ilgili kuantum kimyasal parametreler de hesaplandı. Ayrıca, NLO özellikler üzerine sübstitüent etkisi incelendi ve metil gruplarının NLO aktivitesini artırdığı bulundu.
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ungordu2018piridincumhuriyet Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors ÜNGÖRDÜ, Ayhan ;
Journal cumhuriyet science journal
Year 2018
DOI
DOI not found
URL
https://dergipark.org.tr/tr/pub/csj/issue/36110/405526?publisher=cumhuriyet
Keywords
chemistry Engineering (General). Civil engineering (General) Science (General) Science

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