Molecular mechanics (MM3) calculations on calixarene complexes with alkali metal cations. The importance of pi-cation interactions.

被引：0

作者：

Yang, LR ^{[1
]}

Dixon, DA ^{[1
]}

Hay, BP ^{[1
]}

机构：

[1] PACIFIC NW NATL LAB, ENVIRONM MOL SCI LAB, RICHLAND, WA 99352 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 214卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：213 / INOR

页数：1

共 8 条

[1] Molecular mechanics (MM3) calculations on benzocrown ether complexes of the alkali and alkaline earth cations.
Yang, LRR
Hay, BP
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 311 - INOR
[2] A molecular mechanics (MM3(96)) force field for metal-amide complexes
Hay, BP
Clement, O
Sandrone, G
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[3] Molecular mechanics (MM3*) force field parameters for calculations on palladium olefin complexes with phosphorus ligands
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Svensson, M
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[4] New molecular mechanics (MM3*) force field parameters for calculations on (η3-allyl)palladium complexes with nitrogen and phosphorus ligands
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Åkermark, B
Norrby, PO
ORGANOMETALLICS, 1999, 18 (15) : 2884 - 2895
[5] Efficient treatment of out-of-plane bend and improper torsion interactions in MM2, MM3, and MM4 molecular mechanics calculations
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Noid, DW
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JOURNAL OF COMPUTATIONAL CHEMISTRY, 1997, 18 (14) : 1804 - 1811
[6] CATION-PI INTERACTIONS DETECTED BY MASS-SPECTROMETRY - SELECTIVE RECOGNITION OF ALKALI-METAL CATIONS BY A PI-BASIC MOLECULAR CAVITY
INOKUCHI, F
MIYAHARA, Y
INAZU, T
SHINKAI, S
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH, 1995, 34 (12): : 1364 - 1366
[7] Influence of substituents on cation-π interactions.: 3.: Absolute binding energies of alkali metal cation-aniline complexes determined by threshold collision-induced dissociation and theoretical studies
Amunugama, R
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INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2003, 227 (03) : 339 - 360
[8] Binding properties and molecular mechanics calculations of p-tert-butylhexahomotrioxacalix[3]arene tri(diethyl)amide with alkali, alkaline earth, transition and heavy metal cations
Marcos, Paula M.
Ascenso, Jose R.
Cragg, Peter J.
SUPRAMOLECULAR CHEMISTRY, 2007, 19 (03) : 199 - 206

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