电邮这篇文章 Quantum chemical calculation of spectroscopic and photoelectronic characteristics of [n]staffanes
- 作者: Semenov S.1, Bedrina M.1, Egorov N.1
-
隶属关系:
- St. Petersburg State University
- 期: 卷 86, 编号 12 (2016)
- 页面: 2641-2646
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/216699
- DOI: https://doi.org/10.1134/S1070363216120112
- ID: 216699
如何引用文章
开放存取
##reader.subscriptionAccessGranted##
订阅存取
详细
Structural parameters, IR spectra, 1H and 13C NMR spectra, quadrupole moments, and dipole polarizabilities of seven [n]staffanes with a distance between the terminal carbon atoms of up to 22.0 Å have been determined by DFT quantum chemical calculations at the PBE0/cc-pVTZ level of theory.
作者简介
S. Semenov
St. Petersburg State University
Email: m.bedrina@mail.ru
俄罗斯联邦, Universitetskaya nab. 7–9, St. Petersburg, 199034
M. Bedrina
St. Petersburg State University
编辑信件的主要联系方式.
Email: m.bedrina@mail.ru
俄罗斯联邦, Universitetskaya nab. 7–9, St. Petersburg, 199034
N. Egorov
St. Petersburg State University
Email: m.bedrina@mail.ru
俄罗斯联邦, Universitetskaya nab. 7–9, St. Petersburg, 199034
