MOLECULAR-DYNAMICS OF 18-CROWN-6 COMPLEXES WITH ALKALI-METAL CATIONS - CALCULATION OF RELATIVE FREE-ENERGIES OF COMPLEXATION

被引：79

作者：

VANEERDEN, J ^{[1
]}

HARKEMA, S ^{[1
]}

FEIL, D ^{[1
]}

机构：

[1] UNIV TWENTE,CHEM PHYS LAB,POB 217,7500 AE ENSCHEDE,NETHERLANDS

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1988年 / 92卷 / 18期

关键词：

D O I：

10.1021/j100329a004

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

引用

页码：5076 / 5079

页数：4

共 50 条

[1] MOLECULAR-DYNAMICS STUDIES OF CALIXSPHERAND COMPLEXES WITH ALKALI-METAL CATIONS - CALCULATION OF THE ABSOLUTE AND RELATIVE FREE-ENERGIES OF BINDING OF CATIONS TO A CALIXSPHERAND
MIYAMOTO, S
KOLLMAN, PA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1992, 114 (10) : 3668 - 3674
[2] MOLECULAR-DYNAMICS OF 18-CROWN-6 COMPLEXES WITH ALKALI-METAL CATIONS AND UREA - PREDICTION OF THEIR CONFORMATIONS AND COMPARISON WITH DATA FROM THE CAMBRIDGE STRUCTURAL DATABASE
LEUWERINK, FTH
HARKEMA, S
BRIELS, WJ
FEIL, D
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1993, 14 (08) : 899 - 906
[3] MECHANISM OF COMPLEXATION OF 18-CROWN-6 WITH ALKALI-METAL IONS IN METHANOL
CHEN, CC
PETRUCCI, S
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (14): : 2601 - 2605
[4] 18-CROWN-6 - STRONG COMPLEXING AGENT FOR ALKALI-METAL CATIONS
GREENE, RN
[J]. TETRAHEDRON LETTERS, 1972, (18) : 1793 - &
[5] FREE-ENERGIES FOR ASSOCIATION OF CS+ TO 18-CROWN-6 IN WATER - A MOLECULAR-DYNAMICS STUDY INCLUDING COUNTER IONS
DANG, LX
[J]. CHEMICAL PHYSICS LETTERS, 1994, 227 (1-2) : 211 - 214
[6] FREE-ENERGIES AND ENTROPIES OF TRANSFER FROM WATER TO METHANOL OF CATIONS COMPLEXED BY 18-CROWN-6
ABRAHAM, MH
LING, HC
[J]. TETRAHEDRON LETTERS, 1982, 23 (04) : 469 - 472
[7] ELECTROCHEMICAL STUDIES ON ION RECOGNITION OF ALKALI-METAL CATIONS BY 18-CROWN-6 IN METHANOL
LEE, CW
LEE, CH
SHIN, DS
KIM, SJ
[J]. BULLETIN OF THE KOREAN CHEMICAL SOCIETY, 1991, 12 (05) : 487 - 490
[8] Vibrational spectra and conformational structure of 18-crown-6 and diaza-18-crown-6 in alkali-metal complexes
Kireeva, IK
Generalova, NB
Tsivadze, AY
Brusilovskii, YE
[J]. ZHURNAL NEORGANICHESKOI KHIMII, 1998, 43 (09): : 1501 - 1510
[9] ALKALI-METAL CATION SELECTIVITY OF A MODIFIED 18-CROWN-6
APRA, E
THOMPSON, MA
FELLER, DF
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 282 - PHYS
[10] AN AB-INITIO STUDY OF THE SELECTIVE BINDING OF ALKALI-METAL CATIONS TO 18-CROWN-6
FELLER, D
GLENDENING, ED
[J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1993, 206 : 69 - PHYS

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