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

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

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.

Original languageEnglish
Pages (from-to)1-3
Number of pages3
JournalPhysChemComm
Volume4
DOIs
StatePublished - 21 Jun 2001

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