Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.
about
Effective empirical corrections for basis set superposition error in the def2-SVPD basis: gCP and DFT-C.Distance-including rigorous upper bounds and tight estimates for two-electron integrals over long- and short-range operators.On the hydrogen activation by frustrated Lewis pairs in the solid state: benchmark studies and theoretical insights.Screening methods for linear-scaling short-range hybrid calculations on CPU and GPU architectures.Quantum Chemical Dissection of the Shortest P=O⋅⋅⋅I Halogen Bond: The Decisive Role of Crystal Packing Effects.
P2860
Screened exchange hybrid density functional for accurate and efficient structures and interaction energies.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年学术文章
@wuu
2016年学术文章
@zh
2016年学术文章
@zh-cn
2016年学术文章
@zh-hans
2016年学术文章
@zh-my
2016年学术文章
@zh-sg
2016年學術文章
@yue
2016年學術文章
@zh-hant
name
Screened exchange hybrid densi ...... ures and interaction energies.
@en
Screened exchange hybrid densi ...... ures and interaction energies.
@nl
type
label
Screened exchange hybrid densi ...... ures and interaction energies.
@en
Screened exchange hybrid densi ...... ures and interaction energies.
@nl
prefLabel
Screened exchange hybrid densi ...... ures and interaction energies.
@en
Screened exchange hybrid densi ...... ures and interaction energies.
@nl
P2093
P2860
P356
P1476
Screened exchange hybrid densi ...... ures and interaction energies.
@en
P2093
Eike Caldeweyher
Jan Gerit Brandenburg
Stefan Grimme
P2860
P304
15519-15523
P356
10.1039/C6CP01697A
P407
P577
2016-05-31T00:00:00Z