A PM3 study on fullerene isoxazoline derivatives as nanoscale connectors

Kee Hag Lee; Han Myoung Lee; Wang Ro Lee; Sung Soo Park; Xin Sun

doi:10.1016/s0379-6779(97)81168-x

A PM3 study on fullerene isoxazoline derivatives as nanoscale connectors

Kee Hag Lee^*
, Han Myoung Lee
, Wang Ro Lee
, Sung Soo Park
, Xin Sun

^*Corresponding author for this work

Office of Educational Innovation

Wonkwang University
Fudan University

Research output: Contribution to journal › Journal article › peer-review

5 Scopus citations

Abstract

The construction of nanoscale devices is a potentially important area of technology. Recently a fullerene isoxazoline was reported as an example for nanoscale connectors in molecular electronic devices. By using the semiempirical PM3 calculation, we optimize the structures for fullerene isoxazolines and discuss the regiochemistry of the second addition of a nitrile oxide to a fullerene isoxazoline.

Original language	English
Pages (from-to)	2381-2382
Number of pages	2
Journal	Synthetic Metals
Volume	86
Issue number	1-3
DOIs	https://doi.org/10.1016/s0379-6779(97)81168-x
State	Published - 1997.02.28

Keywords

Fullerenes and derivatives
Semi-empirical models and model calculations

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10.1016/s0379-6779(97)81168-x

Cite this

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title = "A PM3 study on fullerene isoxazoline derivatives as nanoscale connectors",

abstract = "The construction of nanoscale devices is a potentially important area of technology. Recently a fullerene isoxazoline was reported as an example for nanoscale connectors in molecular electronic devices. By using the semiempirical PM3 calculation, we optimize the structures for fullerene isoxazolines and discuss the regiochemistry of the second addition of a nitrile oxide to a fullerene isoxazoline.",

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author = "Lee, \{Kee Hag\} and Lee, \{Han Myoung\} and Lee, \{Wang Ro\} and Park, \{Sung Soo\} and Xin Sun",

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AU - Lee, Kee Hag

AU - Lee, Han Myoung

AU - Lee, Wang Ro

AU - Park, Sung Soo

AU - Sun, Xin

PY - 1997/2/28

Y1 - 1997/2/28

N2 - The construction of nanoscale devices is a potentially important area of technology. Recently a fullerene isoxazoline was reported as an example for nanoscale connectors in molecular electronic devices. By using the semiempirical PM3 calculation, we optimize the structures for fullerene isoxazolines and discuss the regiochemistry of the second addition of a nitrile oxide to a fullerene isoxazoline.

AB - The construction of nanoscale devices is a potentially important area of technology. Recently a fullerene isoxazoline was reported as an example for nanoscale connectors in molecular electronic devices. By using the semiempirical PM3 calculation, we optimize the structures for fullerene isoxazolines and discuss the regiochemistry of the second addition of a nitrile oxide to a fullerene isoxazoline.

KW - Fullerenes and derivatives

KW - Semi-empirical models and model calculations

UR - https://www.scopus.com/pages/publications/0039506509

U2 - 10.1016/s0379-6779(97)81168-x

DO - 10.1016/s0379-6779(97)81168-x

M3 - Journal article

AN - SCOPUS:0039506509

SN - 0379-6779

VL - 86

SP - 2381

EP - 2382

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

ER -

A PM3 study on fullerene isoxazoline derivatives as nanoscale connectors

Abstract

Keywords

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