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Article: Studies from National University describe new findings in physical chemistry.
- Article from:
- Chemicals & Chemistry
- Article date:
- November 13, 2009
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"A computational study is reported to investigate the microscopic behavior of ibuprofen (IBU) in two mesoporous metal-organic frameworks (MOFs), MIL-101 and UMCM-1. Both host structures posses remarkably large pore volumes and surface areas," scientists in Singapore, Singapore report.
"The predicted maximum loading of IBU is in good agreement with experimental measurement and approximately four times greater than that in silica MCM-41. The lowest-energy conformation of IBU in MIL-101 is preferentially located near the metal-oxide. From the highest-occupied molecular orbitals (HOMOs) and hand gap, a coordination bond is found to form between the carboxylic, group ...
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Article: New physical chemistry research reported from ...
Chemicals & Chemistry;
June 5, 2009 ;
700+ words
... ... Journal of Physical Chemistry C, 2009;113 ... Fonticelli, La Plata National University, INIFTA, CONICET ... the Journal of Physical Chemistry C can be contacted ... Nanotechnology, Physical Chemistry, National University. This article ...
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