The diamine cation is not a chemical example where density functional theory fails
Enregistré dans:
Auteurs principaux: | Zulfikhar A. Ali, Fredy W. Aquino, Bryan M. Wong |
---|---|
Format: | article |
Langue: | EN |
Publié: |
Nature Portfolio
2018
|
Sujets: | |
Accès en ligne: | https://doaj.org/article/2a87aadb5da14910ba28e80c7896af4c |
Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
-
Reply to: “The diamine cation is not a chemical example where density functional theory fails”
par: Xinxin Cheng, et autres
Publié: (2018) -
Charge localization in a diamine cation provides a test of energy functionals and self-interaction correction
par: Xinxin Cheng, et autres
Publié: (2016) -
Elevating density functional theory to chemical accuracy for water simulations through a density-corrected many-body formalism
par: Saswata Dasgupta, et autres
Publié: (2021) -
Density-functional fluctuation theory of crowds
par: J. Felipe Méndez-Valderrama, et autres
Publié: (2018) -
Real-time quantification of network growth of epoxy/diamine thermosets as a function of cure protocol
par: Andrew P. Janisse, et autres
Publié: (2019)