Modeling Copper(I) Complexes: SIBFA Molecular Mechanics versus ab Initio Energetics and Geometrical Arrangements
- 15 May 2002
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 106 (23) , 5660-5670
- https://doi.org/10.1021/jp0106146
Abstract
No abstract availableKeywords
This publication has 91 references indexed in Scilit:
- A Multi-O2 Complex Derived from a Copper(I) DendrimerChemistry – A European Journal, 1999
- Crystal structure of a plant catechol oxidase containing a dicopper centerNature Structural & Molecular Biology, 1998
- [N-Alkyl-(2-pyridyl)methanimine]copper(I) Complexes: Characterisation and Application as Catalysts for Atom-Transfer PolymerisationEuropean Journal of Inorganic Chemistry, 1998
- Merck molecular force field. V. Extension of MMFF94 using experimental data, additional computational data, and empirical rulesJournal of Computational Chemistry, 1996
- Multicopper Oxidases and OxygenasesChemical Reviews, 1996
- Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functionsTheoretical Chemistry Accounts, 1995
- Structure of a One‐Dimensional Infinite Double‐Helical Copper(I) ComplexAngewandte Chemie International Edition in English, 1993
- Refined crystal structure of ascorbate oxidase at 1.9 Å resolutionJournal of Molecular Biology, 1992
- Crystal structure of hexameric haemocyanin from Panulirus interruptus refined at 3.2 Å resolutionJournal of Molecular Biology, 1989
- Merlin - a portable system for multidimensional minimizationComputer Physics Communications, 1987