Dr. Richard Tia

Senior Lecturer

Dept: Chemistry
Computational and Theoretical Chemistry Laboratory, FA Kufuor Building, Department of Chemistry.

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Research Areas/Interests

My general research interests lie in the use of state-of-the-art computational chemistry techniques to study the chemical and physical behavior of mol...~more


Dr. Richard Tia is a  computational and theoretical chemist interested primarily in the development and application of quantum mechanical simulation techniques to model chemcial systems at the atomic and electronic levels, aimed at addressing the fundamental problems of molecular structure, function, interaction and design.

He holds B.Sc. (First Class Hons., 2005)) and Ph.D. (2010) degrees in Chemistry and is currently a Senior Lecturer in the Department of Chemistry.

Dr. Tia's research is driven by intriguing mechanistic and structural questions in organic, inorganic, organometallic and materials chemistry. The primary tool for answering these questions is quantum chemistry, particularly ab initio and density functional theory (DFT) techniques.

His works have been published in top-tier international peer-reviewed journals such as the RSC's Physical Chemistry Chemical Physics and Dalton Transactions,  the ACS's Inorganic Chemistry, Computational and Theoretical Chemistry, Journal of Theoretical and Computational Chemistry and the Journal of Molecular Modeling.

Part of these focus on the mechanistic aspects of transition metal-catalysed oxidations of olefins and ketenes, which have a wide range of applications in chemical synthesis both in industry and in basic research (see: Inorg. Chem. 48, 11434 – 11443; Comp. Theor. Chem. 977, 140 – 147; Dalton Trans. 39, 7575 – 7587; Comp. Theor. Chem. 971, 8-18; Comp. Theor.  Chem. 1009, 70-80; Dalton Trans. 42, 10885-10897; Dalton Trans. 42, 14411 – 14423; J. Theor. Comput. Chem.14 (5), 1550035; Inorg. Chim. Acta. 441, 57–66; Can. J. Chem. 2016, 94(5): 523-532; J. Theor. Comput. Chem, DOI: 10.1142/S0219633618500116). The cited works have largely clarified the mechanisms of these reactions.

His work on organic reaction mechanisms has focused on reactions with a wide range of applications in synthetic organic chemistry, with particular emphasis on the regio-, stereo-, and enantio-selectivity of synthetically- and pharmaceutically-relevant reactions. Some of these include the following reported works: Theoretical Chemistry Accounts 139 138; Journal of Molecular Modeling 26:36; Journal of Physical Organic Chemistry. DOI:10.1002/poc.3992; Computational and Theoretical Chemistry, 1138, 7 - 14; Tetrahedron 72(50) DOI 10.1016/j.tet.2016.10.063; Journal of Molecular Graphics and Modelling 81 DOI 10.1016/j.jmgm.2018.02.003; and Journal of Molecular Modeling 24(1). DOI: 10.1007/s00894-017-3558-7.

His work in materials modelling focuses on the fundamental problems of carbon dioxide (CO2) capture and utilization technologies, which has the potential to address the environmental problems associated with rising CO2 levels in the atmosphere (Phys. Chem. Chem. Phys., 2017, 19, 19478-19486. DOI: 10.1039/C7CP03466K); energy storage devices (Phys. Chem. Chem. Phys., 2017, 19, 7399) and on the physical and chemical processes in microporous materials such as zeolites (Phys. Chem. Chem. Phys., 2016, 18, 11297-11305).

In the area of fullerene chemistry, Dr. Tia’s work has focused on the mechanisms of functionalization of these interesting molecules to improve on their applications (J. Theor. Comput. Sci 1 (4), 1-6).

Courses taught include:

CHEM 473 Introduction to Computational Chemistry

CHEM 356 Quantum Chemistry

CHEM 355 Surface Chemistry and Phase Equilibria

CHEM 256 Electrochemistry

CHEM 155/156 Basic Physical Chemistry I/II

CHEM 544 Electrochemistry (Postgraduate)

CHEM 546 Photochemistry (Postgraduate)

He has supervised thesis at the undergraduate, Master's and Doctoral levels and is an external examiner/moderator to a number of universities in Ghana and abroad.

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