Theoretical study of [4 + 2] cycloadditions of some 6- And 5-member ring aromatic compounds on the Si(001)-2 × 1 surface: Correlation between binding energy and resonance energy

Xin Lu; Ming-Chang Lin; Xin Xu; Nanqin Wang; Qianer Zhang

doi:10.1039/b104187h

Theoretical study of [4 + 2] cycloadditions of some 6- And 5-member ring aromatic compounds on the Si(001)-2 × 1 surface: Correlation between binding energy and resonance energy

Xin Lu^*, Ming-Chang Lin, Xin Xu, Nanqin Wang, Qianer Zhang

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應用化學系

研究成果: Article › 同行評審

2 引文斯高帕斯（Scopus）

摘要

By means of first-principles density functional cluster model calculations, we demonstrate that the binding energies of the [4 + 2] cycloaddition products of the 6- and 5-member ring aromatic compounds on the Si(001) surface depend strongly on their resonance energies.

原文	English
頁（從 - 到）	1-3
頁數	3
期刊	PhysChemComm
卷	4
DOIs	https://doi.org/10.1039/b104187h
出版狀態	Published - 21 6月 2001

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title = "Theoretical study of [4 + 2] cycloadditions of some 6- And 5-member ring aromatic compounds on the Si(001)-2 × 1 surface: Correlation between binding energy and resonance energy",

abstract = "By means of first-principles density functional cluster model calculations, we demonstrate that the binding energies of the [4 + 2] cycloaddition products of the 6- and 5-member ring aromatic compounds on the Si(001) surface depend strongly on their resonance energies.",

author = "Xin Lu and Ming-Chang Lin and Xin Xu and Nanqin Wang and Qianer Zhang",

year = "2001",

month = jun,

day = "21",

doi = "10.1039/b104187h",

language = "English",

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T1 - Theoretical study of [4 + 2] cycloadditions of some 6- And 5-member ring aromatic compounds on the Si(001)-2 × 1 surface

T2 - Correlation between binding energy and resonance energy

AU - Lu, Xin

AU - Lin, Ming-Chang

AU - Xu, Xin

AU - Wang, Nanqin

AU - Zhang, Qianer

PY - 2001/6/21

Y1 - 2001/6/21

N2 - By means of first-principles density functional cluster model calculations, we demonstrate that the binding energies of the [4 + 2] cycloaddition products of the 6- and 5-member ring aromatic compounds on the Si(001) surface depend strongly on their resonance energies.

AB - By means of first-principles density functional cluster model calculations, we demonstrate that the binding energies of the [4 + 2] cycloaddition products of the 6- and 5-member ring aromatic compounds on the Si(001) surface depend strongly on their resonance energies.

UR - http://www.scopus.com/inward/record.url?scp=0041791315&partnerID=8YFLogxK

U2 - 10.1039/b104187h

DO - 10.1039/b104187h

M3 - Article

AN - SCOPUS:0041791315

SN - 1460-2733

VL - 4

SP - 1

EP - 3

JO - PhysChemComm

JF - PhysChemComm

ER -

Theoretical study of [4 + 2] cycloadditions of some 6- And 5-member ring aromatic compounds on the Si(001)-2 × 1 surface: Correlation between binding energy and resonance energy

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