The effect of deformation and intermolecular interaction on the absorption spectrum of 5-aminotetrazole and hydrazine: A computational molecular spectroscopy study on hydrazinium 5-aminotetrazolate
详细信息 查看全文
- 作者：H. Farrokhpour ; farrokhphossein@gmail.com" class="auth_mail" title="E-mail the corresponding author ; h-farrokh@cc.iut.ac.ir" class="auth_mail" title="E-mail the corresponding author ; A. Dehbozorgi ; M. Manassir ; A. Najafi Chermahini
- 关键词：Deformation ; Intermolecular interaction ; Absorption ; Hydrazinium 5-aminotetrazolate ; Hydrazine ; SAC-CI
- 刊名：Journal of Molecular Structure
- 出版年：2016
- 出版时间：5 March 2016
- 年：2016
- 卷：1107
- 期：Complete
- 页码：121-136
- 全文大小：3466 K
文摘
- ass="listitem" id="list_ulist0010">
- ass="label">•
The effect of deformation and intermolecular interaction on the absorption spectrum.
- ass="label">•
The absorption spectrum of hydrazinium 5-aminotetrazolate in the gas and water.
- ass="label">•
The SAC-CI method was used for calculating the absorption spectra.
- ass="label">•
Seven complexes were considered for hydrazinium 5-aminotetrazolate.