Charge localization in a diamine cation provides a test of energy functionals and self-interaction correction
about
The impact of environment and resonance effects on the site of protonation of aminobenzoic acid derivatives.Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li-Kr.Coherence in nonradiative transitions: internal conversion in Rydberg-excited N-methyl and N-ethyl morpholine.Atomic scale simulations of heterogeneous electrocatalysis: recent advancesThe diamine cation is not a chemical example where density functional theory fails
P2860
Charge localization in a diamine cation provides a test of energy functionals and self-interaction correction
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Charge localization in a diami ...... nd self-interaction correction
@ast
Charge localization in a diami ...... nd self-interaction correction
@en
type
label
Charge localization in a diami ...... nd self-interaction correction
@ast
Charge localization in a diami ...... nd self-interaction correction
@en
prefLabel
Charge localization in a diami ...... nd self-interaction correction
@ast
Charge localization in a diami ...... nd self-interaction correction
@en
P2093
P2860
P356
P1476
Charge localization in a diami ...... nd self-interaction correction
@en
P2093
Elvar Jónsson
Peter M Weber
Xinxin Cheng
P2860
P2888
P356
10.1038/NCOMMS11013
P407
P577
2016-03-16T00:00:00Z