Quantum mechanical NMR simulation algorithm for protein-size spin systems
Nuclear magnetic resonance spectroscopy is one of the few remaining areas of physical chemistry for which polynomially scaling quantum mechanical simulation methods have not so far been available. In this communication we adapt the restricted state space approximation to protein NMR spectroscopy and...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
2014-04-18.
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| Subjects: | |
| Online Access: | Get fulltext Get fulltext |