Kinetic isotope effects and how to describe them

We review several methods for computing kinetic isotope effects in chemical reactions including semiclassical and quantum instanton theory. These methods describe both the quantization of vibrational modes as well as tunneling and are applied to the ⋅H + H(2) and ⋅H + CH(4) reactions. The absolute r...

Ful tanımlama

Kaydedildi:
Detaylı Bibliyografya
Yayımlandı:Struct Dyn
Asıl Yazarlar: Karandashev, Konstantin, Xu, Zhen-Hao, Meuwly, Markus, Vaníček, Jiří, Richardson, Jeremy O.
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: American Crystallographic Association 2017
Konular:
Swiss National Center of Competence in Research: Molecular Ultrafast Science and Technology
Online Erişim:https://ncbi.nlm.nih.gov/pmc/articles/PMC5729036/
https://ncbi.nlm.nih.gov/pubmed/29282447
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.4996339
Etiketler: Etiketle
Etiket eklenmemiş, İlk siz ekleyin!

Benzer Materyaller