| scholarly article | Q13442814 |
| P356 | DOI | 10.1039/C2CP23802K |
| P698 | PubMed publication ID | 22644347 |
| P50 | author | Kevin J. Naidoo | Q42784019 |
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| P433 | issue | 25 | |
| P407 | language of work or name | English | Q1860 |
| P304 | page(s) | 9026-9036 | |
| P577 | publication date | 2012-05-29 | |
| P1433 | published in | Physical Chemistry Chemical Physics | Q3018671 |
| P1476 | title | Multidimensional free energy volumes offer unique insights into reaction mechanisms, molecular conformation and association | |
| P478 | volume | 14 |
| Q45929875 | Interpreting medium ring canonical conformers by a triangular plane tessellation of the macrocycle. |
| Q46387544 | Producing DFT/MM enzyme reaction trajectories from SCC-DFTB/MM driving forces to probe the underlying electronics of a glycosyltransferase reaction |
| Q35632175 | Quantum supercharger library: hyper-parallelism of the Hartree-Fock method |
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