Improved atom equivalents method for converting density functional theory energies calculated on molecular mechanics structures to heats of formation
| Main Authors: | , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Arkat USA, Inc.
2005-12-01
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| Series: | ARKIVOC |
| Online Access: | https://www.arkat-usa.org/arkivoc-journal/browse-arkivoc/ark.5550190.0002.115 |