Open-chain polyamine ligands with more rigid double connecting bridges. Study of their metal ion selectivities by molecular mechanics calculation, crystallography, and thermodynamics

1990 ◽  
Vol 29 (2) ◽  
pp. 264-270 ◽  
Author(s):  
Robert D. Hancock ◽  
M. Patrick Ngwenya ◽  
Ann Evers ◽  
Peter W. Wade ◽  
Jan C. A. Boeyens ◽  
...  
Keyword(s):  
Molecular Mechanics ◽  
Metal Ion ◽  
Open Chain ◽  
Molecular Mechanics Calculation ◽  
Ion Selectivities

ChemInform Abstract: Open-Chain Polyamine Ligands with More Rigid Double Connecting Bridges. Study of Their Metal Ion Selectivities by Molecular Mechanics Calculation, Crystallography, and Thermodynamics.

ChemInform ◽  
1990 ◽  
Vol 21 (17) ◽  
Author(s):  
R. D. HANCOCK ◽  
M. P. NGWENYA ◽  
A. EVERS ◽  
P. W. WADE ◽  
J. C. A. BOEYENS ◽  
...  
Keyword(s):  
Molecular Mechanics ◽  
Metal Ion ◽  
Open Chain ◽  
Molecular Mechanics Calculation ◽  
Ion Selectivities

Molecular Mechanics Calculations and the Metal Ion Selective Extraction of Lanthanoids

1998 ◽  
Vol 37 (13) ◽  
pp. 3310-3315 ◽  
Author(s):  
Peter Comba ◽  
Karsten Gloe ◽  
Katsutoshi Inoue ◽  
Torsten Krüger ◽  
Holger Stephan ◽  
...  
Keyword(s):  
Molecular Mechanics ◽  
Metal Ion ◽  
Selective Extraction ◽  
Molecular Mechanics Calculations

Using fractal to solve the multiple minima problem in molecular mechanics calculation

2000 ◽  
Vol 21 (12) ◽  
pp. 1101-1108 ◽  
Author(s):  
Y. Z. Xu ◽  
Q. Ouyang ◽  
J. G. Wu ◽  
J. A. Yorke ◽  
G. X. Xu ◽  
...  
Keyword(s):  
Molecular Mechanics ◽  
Molecular Mechanics Calculation ◽  
Multiple Minima

Unusual Metal Ion Selectivities of the Highly Preorganized Tetradentrate Ligand 1,10-Phenanthroline-2,9-dicarboxamide: A Thermodynamic and Fluorescence Study

2011 ◽  
Vol 50 (17) ◽  
pp. 8348-8355 ◽  
Author(s):  
Danielle Merrill ◽  
James M. Harrington ◽  
Hee-Seung Lee ◽  
Robert D. Hancock
Keyword(s):  
Metal Ion ◽  
Fluorescence Study ◽  
Ion Selectivities

Divalent metal ion mediated interaction of proteins with negatively charged membranes A model study employing molecular mechanics

2009 ◽  
Vol 35 (2) ◽  
pp. 111-116 ◽  
Author(s):  
J.D. CAIN ◽  
D.W. DEERFIELD ◽  
R.G. HISKEY ◽  
L.G. PEDERSEN
Keyword(s):  
Molecular Mechanics ◽  
Metal Ion ◽  
Divalent Metal ◽  
Model Study ◽  
Divalent Metal Ion ◽  
Charged Membranes

Orientation of guest benzene molecules in Hofmann-type and related clathrates by molecular mechanics calculation

1989 ◽  
Vol 7 (3) ◽  
pp. 369-377 ◽  
Author(s):  
Shin-Ichi Nishikiori ◽  
Takafumi Kitazawa ◽  
Reiko Kuroda ◽  
Toschitake Iwamoto
Keyword(s):  
Molecular Mechanics ◽  
Molecular Mechanics Calculation

Conformations of the securinine alkaloids as studied by high field 13C, 1H and 2-D NMR, and molecular mechanics calculation

Tetrahedron ◽  
1987 ◽  
Vol 43 (13) ◽  
pp. 2915-2924 ◽  
Author(s):  
Peter D. Livant ◽  
John A. Beutler
Keyword(s):  
Molecular Mechanics ◽  
High Field ◽  
Molecular Mechanics Calculation
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