Scale Factors for Carbonyl Vibrational Frequencies: A Study of Partial Hessian Approximation

Scale Factors for Carbonyl Vibrational Frequencies: A Study of Partial Hessian Approximation

This study investigated the use of partial Hessian approximation and bulky ligand replacement on the carbonyl stretching frequency of transition metal carbonyl complexes. Ligand replacement speeds up the frequency calculation, but also affects the vibrational frequency, due to the difference in ele...

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書目詳細資料
Main Authors:	Pisorn Sae-Heng, Jonggol Tantirungrotechai, Yuthana Tantirungrotechai
格式:	บทความวารสาร
語言:	English
出版:	Science Faculty of Chiang Mai University 2019
在線閱讀:	http://it.science.cmu.ac.th/ejournal/dl.php?journal_id=9670 http://cmuir.cmu.ac.th/jspui/handle/6653943832/64243
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