Effect of conformational isomerism on NIR spectra of ethanol isotopologues. Spectroscopic and anharmonic DFT study

出版年份 2020 全文链接

标题

作者

关键词

Near-infrared (NIR) spectroscopy, Anharmonic quantum chemical calculations, GVPT2, Isotopic substitution, Conformers, Overtones and combinations bands, Ethanol

出版物

JOURNAL OF MOLECULAR LIQUIDS

Volume 310, Issue -, Pages 113271

出版商

Elsevier BV

发表日期

2020-05-04

DOI

10.1016/j.molliq.2020.113271

向作者/读者发起求助以获取更多资源

Protocol

在线求助

Reagent

在线求助

Reprint

联系作者

Discover Peeref hubs

Discuss science. Find collaborators. Network.

Join a conversation

Ask a Question. Answer a Question.

Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.

Get Started