Angular Forces Around Transition Metals in Biomolecules
Biological Physics
2009-10-31 v1 Condensed Matter
Abstract
Quantum-mechanical analysis based on an exact sum rule is used to extract an semiclassical angle-dependent energy function for transition metal ions in biomolecules. The angular dependence is simple but different from existing classical potentials. Comparison of predicted energies with a computer-generated database shows that the semiclassical energy function is remarkably accurate, and that its angular dependence is optimal.
Cite
@article{arxiv.physics/9804036,
title = {Angular Forces Around Transition Metals in Biomolecules},
author = {A. E. Carlsson},
journal= {arXiv preprint arXiv:physics/9804036},
year = {2009}
}
Comments
Tex file plus 4 postscript figures