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个人简介
The scientific activities of Mário T.S. Rosado cover several areas of Physical Chemistry — Computational Chemistry, Solid State Thermodynamics and Vibrational Spectroscopy. He is an full member of the Coimbra Chemistry Centre – InstItute of Molecular Science (Centro de Química de Coimbra – CQC-IMS) since being awarded his PhD degree in 2004.
His research interests in the domains of vibrational spectroscopy and computational chemistry fields lasting since the his PhD project under the supervision of Profs. M. L. Duarte and Rui Fausto have been dedicated to the study of the structure and energetics of organic molecules, including their intermolecular interactions, namely hydrogen bonding. He has remained active in these research topics, in continuous collaboration with several members of the Coimbra Molecular Cryo-spectroscopy and Bio-spectroscopy Laboratory.
In the last two decades, he has been a senior member of the Solid State Thermodynamics Laboratory of CQC, applying Computational Chemistry, Spectroscopy and Thermal Analysis techniques to the study of condensed phases of organic compounds. His work has been focused in the research of electronic structure and intermolecular interaction energetics of organic compounds, frequently of pharmaceutical interest. He has been applying various experimental and computational techniques to the study of polymorphism, plastic crystal mesophases and co-crystal and co-amorphous systems.
研究兴趣
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EUROPEAN JOURNAL OF ORGANIC CHEMISTRYno. 3 (2024): e202301103
JOURNAL OF MOLECULAR LIQUIDS (2023): 120874-120874
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