Research Article
Polymorphs of Tolfenamic Acids: Stability Analysis Using Cluster Method
Table 1
Energies of form I clusters. (a) Without complete dimers and (b) with complete dimers.
denotes cluster with complete dimers.
(a) |
| Molecule in cluster, n | (au) | (au) | (kcal mol−1) |
| 1 | −1205.8408931 | 0.0000000 | 0.0000000 | 2 | −1205.8551323 | −0.0142392 | −8.9351323 | 5 | −1205.8587378 | −0.0178447 | −11.1975784 | 6 | −1205.8648680 | −0.0239749 | −15.0442962 | 10 | −1205.8625549 | −0.0216618 | −13.5928331 | 17 | −1205.8695943 | −0.0287012 | −18.0101120 | 21 | −1205.8715498 | −0.0306567 | −19.2371569 | 28 | −1205.8755554 | −0.0346623 | −21.7507209 | 31 | −1205.8779238 | −0.0370307 | −23.2369032 |
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(b) |
| Molecule in cluster, n | (au) | (au) | (kcal mol−1) |
| 1 | −1205.8408931 | 0.0000000 | 0.0000000 | 2 | −1205.8551323 | −0.0142392 | −8.9351323 | 8 | −1205.8697762 | −0.0288831 | −18.1242362 | 16 | −1205.8705116 | −0.0296185 | −18.5857075 | 28 | −1205.8785210 | −0.0376279 | −23.6116018 | 34 | −1205.8806005 | −0.0397074 | −24.9165293 |
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