Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning-Reference-Cited by-同舟云学术

Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning

Published:2019 Issue:19 Volume:21 Page:9987-9995
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Symonds Christopher C.¹²³⁴⁵^ORCID,Makhov Dmitry V.¹²³⁴⁶,Cole-Filipiak Neil C.⁷⁸⁹⁴^ORCID,Green James A.¹²³⁴^ORCID,Stavros Vasilios G.⁷⁸⁹⁴^ORCID,Shalashilin Dmitrii V.¹²³⁴

Affiliation:

1. School of Chemistry

2. University of Leeds

3. Leeds LS2 9JT

4. UK

5. School of Earth and Environment

6. School of Mathematics

7. Department of Chemistry

8. University of Warwick

9. Coventry CV4 7AL

Abstract

Fully quantum nonadiabatic dynamics calculation of photodissociation of azoles shows good agreement with experiment and foreshadows the predictive ability of the method.

Funder

Engineering and Physical Sciences Research Council

Leverhulme Trust

University of Leeds

Royal Society

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP00039A

Reference40 articles.