Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach
© 2016 The Authors. Journal of Computational Chemistry Published by Wiley Periodicals, Inc.
Détails bibliographiques
| Publié dans: | Journal of computational chemistry. - 1984. - 38(2017), 6 vom: 05. März, Seite 319-335
|
|---|
| Auteur principal: |
Pagliai, Marco
(Auteur) |
|---|
| Autres auteurs: |
Mancini, Giordano,
Carnimeo, Ivan,
De Mitri, Nicola,
Barone, Vincenzo |
|---|
| Format: | Article en ligne
|
|---|
| Langue: | English |
|---|
| Publié: |
2017
|
|---|
| Accès à la collection: | Journal of computational chemistry
|
|---|
| Sujets: | Journal Article
Research Support, Non-U.S. Gov't
H-bond
TD-DFT
fluctuating charges
molecular dynamics
quantum-mechanics/molecular mechanics |
|---|