Polymorphs of Tolfenamic Acids: Stability Analysis Using Cluster Method
We report results of the relative stability between form I and form II of tolfenamic acid. By performing systematic cluster calculations at the B3LYP/6-31 G level of theory and including the corrections to the dispersion and basis set superposition error, we found that form II is energetically more...
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| Format: | Article |
| Language: | English |
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Hindawi Limited
2016
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| Online Access: | View Fulltext in Publisher View in Scopus |
| LEADER | 01225nam a2200169Ia 4500 | ||
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| 001 | 10.1155-2016-3537842 | ||
| 008 | 220120s2016 CNT 000 0 und d | ||
| 020 | |a 1687689X (ISSN) | ||
| 245 | 1 | 0 | |a Polymorphs of Tolfenamic Acids: Stability Analysis Using Cluster Method |
| 260 | 0 | |b Hindawi Limited |c 2016 | |
| 520 | 3 | |a We report results of the relative stability between form I and form II of tolfenamic acid. By performing systematic cluster calculations at the B3LYP/6-31 G level of theory and including the corrections to the dispersion and basis set superposition error, we found that form II is energetically more stable than form I. Furthermore, we found that the formation of dimers has a stabilizing effect compared to individual monomers in the clusters that we have considered. © 2016 Lee Sin Ang et al. | |
| 700 | 1 | 0 | |a Ang, L.S. |e author |
| 700 | 1 | 0 | |a Mohamed-Ibrahim, M.I. |e author |
| 700 | 1 | 0 | |a Sulaiman, S. |e author |
| 773 | |t Physics Research International |x 1687689X (ISSN) |g 2016 | ||
| 856 | |z View Fulltext in Publisher |u https://doi.org/10.1155/2016/3537842 | ||
| 856 | |z View in Scopus |u https://www.scopus.com/inward/record.uri?eid=2-s2.0-84971434484&doi=10.1155%2f2016%2f3537842&partnerID=40&md5=021f68de4c3cb6613ea382647907ac4e | ||