| 词条 | Peter Pulay |
| 释义 |
One of his most important contributions is the introduction of the gradient method in quantum chemistry. This allows the prediction of the geometric structure of a molecule using computational chemical programs to be almost routine. He is the main author of the PQS computational chemistry program. His work was cited in the official background material for the 1998 Nobel Prize in chemistry. Among many honors he was made a Foreign Member of the Hungarian Academy of Sciences in 1993. He is a member of the International Academy of Quantum Molecular Science. See also
References
5 : Living people|International Academy of Quantum Molecular Science members|1941 births|Schrödinger Medal recipients|Computational chemists |
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