An ab initio investigation on the ground electronic state of chlorine monoxide and its singly charged cation and anion
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- 作者：Song Li ; lsong@yangtzeu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Shan-Jun Chen ; Yan Chen
- 关键词：ClO ; ClO+ ; ClO&minus ; Equilibrium geometrical parameters ; Potential energy curves ; Spectroscopic constants ; Vibrational energy levels
- 刊名：Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
- 出版年：2016
- 出版时间：5 January 2016
- 年：2016
- 卷：152
- 期：Complete
- 页码：453-460
- 全文大小：386 K
文摘
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High level computations and basis set extrapolation methods are employed.
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Molecular structures, spectroscopic constants and vibrational levels are predicted.
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Capable of supporting further experimental and theoretical researches.