A comparison of geometric parameters from PBE-based doubly hybrid density functionals PBE0-DH, PBE0-2, and xDH-PBE0.
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Dissecting the accountability of parameterized and parameter-free single-hybrid and double-hybrid functionals for photophysical properties of TADF-based OLEDs.Stepwise deprotonation of sumanene: electronic structures, energetics and aromaticity alterations.Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional.Stability of functionalized corannulene cations [R-C20 H10 ](+) : An influence of the nature of R-Group.Double-hybrid density functionals
P2860
A comparison of geometric parameters from PBE-based doubly hybrid density functionals PBE0-DH, PBE0-2, and xDH-PBE0.
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2013 nî lūn-bûn
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name
A comparison of geometric para ...... PBE0-DH, PBE0-2, and xDH-PBE0.
@en
A comparison of geometric para ...... PBE0-DH, PBE0-2, and xDH-PBE0.
@nl
type
label
A comparison of geometric para ...... PBE0-DH, PBE0-2, and xDH-PBE0.
@en
A comparison of geometric para ...... PBE0-DH, PBE0-2, and xDH-PBE0.
@nl
prefLabel
A comparison of geometric para ...... PBE0-DH, PBE0-2, and xDH-PBE0.
@en
A comparison of geometric para ...... PBE0-DH, PBE0-2, and xDH-PBE0.
@nl
P2860
P356
P1476
A comparison of geometric para ...... PBE0-DH, PBE0-2, and xDH-PBE0.
@en
P2093
P2860
P304
P356
10.1063/1.4827024
P407
P577
2013-11-01T00:00:00Z