Nuclear quantum effect and temperature dependency on the hydrogen-bonded structure of 7-azaindole dimer
The structure of 7-azaindole dimer (7AI2) as a model compound for DNA base pair has been studied by classical molecular dynamics (MD) and path integral molecular dynamics (PIMD) simulations on the semi-empirical PM6 potential energy surface at various temperatures, to investigate the nuclear quantum...
Saved in:
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
2014
|
| Online Access: | http://www.scopus.com/inward/record.url?eid=2-s2.0-84905294428&partnerID=40&md5=4a3df77fcc81aa1b48eb2b4b3af10a4c http://cmuir.cmu.ac.th/handle/6653943832/37641 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| Institution: | Chiang Mai University |
| Language: | English |
Be the first to leave a comment!