dorsal/arxiv
View SchemaAngular Forces Around Transition Metals in Biomolecules
| Authors | A. E. Carlsson |
|---|---|
| Categories | |
| ArXiv ID | physics/9804036 |
| URL | https://arxiv.org/abs/physics/9804036 |
| DOI | 10.1103/PhysRevLett.81.477 |
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.
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"abstract": "Quantum-mechanical analysis based on an exact sum rule is used to extract an\nsemiclassical angle-dependent energy function for transition metal ions in\nbiomolecules. The angular dependence is simple but different from existing\nclassical potentials. Comparison of predicted energies with a\ncomputer-generated database shows that the semiclassical energy function is\nremarkably accurate, and that its angular dependence is optimal.",
"arxiv_id": "physics/9804036",
"authors": [
"A. E. Carlsson"
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"categories": [
"physics.bio-ph",
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"doi": "10.1103/PhysRevLett.81.477",
"title": "Angular Forces Around Transition Metals in Biomolecules",
"url": "https://arxiv.org/abs/physics/9804036"
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