An investigation of the template effects in the synthesis of monobenzo-15-crown-5 ether by molecular dynamics simulation

Weon Seok Oh, Myung Hee Kwon, Su Yeon Kim, Kyoung Tai No, Suk Kyu Chang

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The molecular dynamics simulations of the template effects of alkali metal cations for the synthesis of monobenzo-15-crown-5 were performed. The simulation results qualitatively duplicate the experimental results and Na+ ion was found to be the best template ion among alkali metal cations.

Original languageEnglish
Pages (from-to)181-182
Number of pages2
JournalChemistry Letters
Issue number3
DOIs
Publication statusPublished - 1996 Jan 1

Fingerprint

Alkali Metals
Ether
Molecular dynamics
Cations
Ions
Computer simulation
15-crown-5

All Science Journal Classification (ASJC) codes

  • Chemistry(all)

Cite this

@article{ded4999c7a7d460a88064b5857f8b4eb,
title = "An investigation of the template effects in the synthesis of monobenzo-15-crown-5 ether by molecular dynamics simulation",
abstract = "The molecular dynamics simulations of the template effects of alkali metal cations for the synthesis of monobenzo-15-crown-5 were performed. The simulation results qualitatively duplicate the experimental results and Na+ ion was found to be the best template ion among alkali metal cations.",
author = "Oh, {Weon Seok} and Kwon, {Myung Hee} and Kim, {Su Yeon} and No, {Kyoung Tai} and Chang, {Suk Kyu}",
year = "1996",
month = "1",
day = "1",
doi = "10.1246/cl.1996.181",
language = "English",
pages = "181--182",
journal = "Chemistry Letters",
issn = "0366-7022",
publisher = "Chemical Society of Japan",
number = "3",

}

An investigation of the template effects in the synthesis of monobenzo-15-crown-5 ether by molecular dynamics simulation. / Oh, Weon Seok; Kwon, Myung Hee; Kim, Su Yeon; No, Kyoung Tai; Chang, Suk Kyu.

In: Chemistry Letters, No. 3, 01.01.1996, p. 181-182.

Research output: Contribution to journalArticle

TY - JOUR

T1 - An investigation of the template effects in the synthesis of monobenzo-15-crown-5 ether by molecular dynamics simulation

AU - Oh, Weon Seok

AU - Kwon, Myung Hee

AU - Kim, Su Yeon

AU - No, Kyoung Tai

AU - Chang, Suk Kyu

PY - 1996/1/1

Y1 - 1996/1/1

N2 - The molecular dynamics simulations of the template effects of alkali metal cations for the synthesis of monobenzo-15-crown-5 were performed. The simulation results qualitatively duplicate the experimental results and Na+ ion was found to be the best template ion among alkali metal cations.

AB - The molecular dynamics simulations of the template effects of alkali metal cations for the synthesis of monobenzo-15-crown-5 were performed. The simulation results qualitatively duplicate the experimental results and Na+ ion was found to be the best template ion among alkali metal cations.

UR - http://www.scopus.com/inward/record.url?scp=0030527939&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0030527939&partnerID=8YFLogxK

U2 - 10.1246/cl.1996.181

DO - 10.1246/cl.1996.181

M3 - Article

SP - 181

EP - 182

JO - Chemistry Letters

JF - Chemistry Letters

SN - 0366-7022

IS - 3

ER -