Mixed quantum-classical dynamics for charge transport in organics.
about
Communication: Global flux surface hopping in Liouville space.Benchmark Performance of Global Switching versus Local Switching for Trajectory Surface Hopping Molecular Dynamics Simulation: Cis↔Trans Azobenzene Photoisomerization.A map of high-mobility molecular semiconductors.Nonadiabatic dynamics of injected holes in conjugated polymers.Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation.Libra: An open-Source "methodology discovery" library for quantum and classical dynamics simulations.Terminal π–π stacking determines three-dimensional molecular packing and isotropic charge transport in an A–π–A electron acceptor for non-fullerene organic solar cells
P2860
Q46871068-A17D131E-1F44-4819-9C17-7F942BFCFD90Q47967135-856DAD66-30C9-46FC-84DC-4D7CC524F3D5Q48095079-2D8A316D-6090-44F9-9854-5A3B7738B707Q50761336-6DD7C4E4-A486-4654-B0ED-D86B120CD553Q50901610-C8998934-AB6D-4220-9DC2-8A7F01DC8FAAQ54349293-F8814BCD-AB8F-463A-A067-95C9BA027A4BQ57639587-F52F2164-78E3-48FC-8C37-8DF9F3A59384
P2860
Mixed quantum-classical dynamics for charge transport in organics.
description
2015 nî lūn-bûn
@nan
2015年の論文
@ja
2015年学术文章
@wuu
2015年学术文章
@zh
2015年学术文章
@zh-cn
2015年学术文章
@zh-hans
2015年学术文章
@zh-my
2015年学术文章
@zh-sg
2015年學術文章
@yue
2015年學術文章
@zh-hant
name
Mixed quantum-classical dynamics for charge transport in organics.
@en
Mixed quantum-classical dynamics for charge transport in organics.
@nl
type
label
Mixed quantum-classical dynamics for charge transport in organics.
@en
Mixed quantum-classical dynamics for charge transport in organics.
@nl
prefLabel
Mixed quantum-classical dynamics for charge transport in organics.
@en
Mixed quantum-classical dynamics for charge transport in organics.
@nl
P2093
P2860
P356
P1476
Mixed quantum-classical dynamics for charge transport in organics.
@en
P2093
David Beljonne
Linjun Wang
Oleg V Prezhdo
P2860
P304
12395-12406
P356
10.1039/C5CP00485C
P407
P577
2015-05-01T00:00:00Z