STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD

ABSTRACT Ab initio calculations have been performed in order to investigate the conformational characteristics of p- (nitro)methoxycalix[4]arene and p-(terl-butyl)methoxycalix[4]arene. The structures of four types (cone, parlial cone, 1,2-altemate and 1,3-altemate) of conformers for each compound ha...

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محفوظ في:
التفاصيل البيبلوغرافية
المؤلف الرئيسي: Perpustakaan UGM, i-lib
التنسيق: مقال NonPeerReviewed
منشور في: [Yogyakarta] : Universitas Gadjah Mada 2008
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الوصول للمادة أونلاين:https://repository.ugm.ac.id/27981/
http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11044
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spelling id-ugm-repo.279812014-06-18T00:25:07Z https://repository.ugm.ac.id/27981/ STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD Perpustakaan UGM, i-lib Jurnal i-lib UGM ABSTRACT Ab initio calculations have been performed in order to investigate the conformational characteristics of p- (nitro)methoxycalix[4]arene and p-(terl-butyl)methoxycalix[4]arene. The structures of four types (cone, parlial cone, 1,2-altemate and 1,3-altemate) of conformers for each compound have been optimized byab initio method at the restricted Meller-Plesset fourlh-order perlurbatlon (RMP4) level of theory using 6-311G and 6-311G++(d,p) basis sets. General trends in relative stabilities of p-(nitro)methoxycalix[4]arene and p-(terl-butyl)methoxycalix[4]arene are similar and decrease in following order: parlial cone> cone> 1,3-altemate > 1,2-altemate. The calculated results of the most stable conformation of parlial cone structure agree with.the reporled NMR experimental observations. [Yogyakarta] : Universitas Gadjah Mada 2008 Article NonPeerReviewed Perpustakaan UGM, i-lib (2008) STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD. Jurnal i-lib UGM. http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11044
institution Universitas Gadjah Mada
building UGM Library
country Indonesia
collection Repository Civitas UGM
topic Jurnal i-lib UGM
spellingShingle Jurnal i-lib UGM
Perpustakaan UGM, i-lib
STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD
description ABSTRACT Ab initio calculations have been performed in order to investigate the conformational characteristics of p- (nitro)methoxycalix[4]arene and p-(terl-butyl)methoxycalix[4]arene. The structures of four types (cone, parlial cone, 1,2-altemate and 1,3-altemate) of conformers for each compound have been optimized byab initio method at the restricted Meller-Plesset fourlh-order perlurbatlon (RMP4) level of theory using 6-311G and 6-311G++(d,p) basis sets. General trends in relative stabilities of p-(nitro)methoxycalix[4]arene and p-(terl-butyl)methoxycalix[4]arene are similar and decrease in following order: parlial cone> cone> 1,3-altemate > 1,2-altemate. The calculated results of the most stable conformation of parlial cone structure agree with.the reporled NMR experimental observations.
format Article
NonPeerReviewed
author Perpustakaan UGM, i-lib
author_facet Perpustakaan UGM, i-lib
author_sort Perpustakaan UGM, i-lib
title STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD
title_short STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD
title_full STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD
title_fullStr STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD
title_full_unstemmed STUDY ON THE CONFORMATIONS OF p-(NITRO)METHOXYCALIX[4]ARENE AND p-(tert-BUTYL)METHOXYCALIX[4]ARENE USING. HIGH LEVEL AS INITIO METHOD
title_sort study on the conformations of p-(nitro)methoxycalix[4]arene and p-(tert-butyl)methoxycalix[4]arene using. high level as initio method
publisher [Yogyakarta] : Universitas Gadjah Mada
publishDate 2008
url https://repository.ugm.ac.id/27981/
http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11044
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