Professor Evans Adei
Academic Qualifications and Appointments
–B.Sc. (Hons) KNUST – 1983
–M.Phil. (KNUST) – 1989
–Ph.D. (University OF California, Irvine) – 1996
–Lecturer, KNUST – 1986
–Senior Lecturer, KNUST–2004
–Head of KNUST Chemistry Department–2000-2002; 2005-2007
- Associate Professor - August, 2013
Molecular Modeling Centre, Department of Chemistry, KNUST, Kumasi, Ghana
Phone:+233 (0) 201963384
Field of Specialization
Physical and computational chemistry, focusing on theoretical studies of the mechanisms of organic and organo-metallic reactions and design of efficient surfactants for mineral separation and improved catalysts for crude oil cracking and refining.
The main focus of my research is the application of computational chemistry techniques, particularly ab initio and density functional theory methods, to study organic and organo-metallic reaction mechanisms; and computational materials chemistry. Specific research projects pursued include:
1. The mechanisms of oxidation of olefins by transition metal oxo complexes
2. The reactivities of alkylidenes and oxo-alkylidenes as catalysts for olefin metathesis reactions
3. Spin-forbidden transition metal chemistry
4. Thermal cyclo-addition reactions, particularly 1,3-dipolar cycloaddition reactions
to produce complex carbocyclic frameworks
5. Computer-aided design of efficient surfactants for mineral separation and
improved catalysts for crude oil cracking and refining.
1. Isaac W. Boateng, Richard Tia, Evans Adei, Nelson Y. Dzade, C. Richard A. Catlow and Nora H. de Leeuw. (2017) A DFT+U investigation of hydrogen adsorption on the LaFeO3(010) surface. Phys. Chem. Chem. Phys., 19, 7399-7409.
2. Caroline R. Kwawu, Richard Tia, Evans Adei, Nelson Y. Dzade, Richard A. Catlow, Nora H. de Leeuw. (2017) Effect of nickel monolayer deposition on the structural and electronic properties of the low Miller indices of (bcc) iron: A DFT study. Applied Surface Science 400 (2017), 293 – 303
3. Ernest Opoku, Richard Tia, and Evans Adei (2016) [3 + 2] versus [2 + 2] Addition: A Density Functional Theory Study on the Mechanistic Aspects of Transition Metal-Assisted Formation of
1,2-Dinitrosoalkanes. Journal of Chemistry, vol. 2016.
4. Evans Fosu, Richard Tia and Evans Adei (2016) Mechanistic studies on Diels-Alder [4 + 2] cycloaddition reactions of α,β-substituted cyclobutenones: Role of substituents in regio- and stereoselectivity. Tetrahedron 72(50), 8261-8273.
5. Albert Aniagyei, Richard Tia and Evans Adei (2016) A computational study of the addition of ReO3L (L = Cl−, CH3, OCH3 and Cp) to ethenone. SpringerPlus 5:354
6. Issahaku Ahmed, Richard Tia, Evans Adei. Exploring the Peri-, Chemo-, and Regio-Selectivity of Addition of Manganese Metal Oxides MnO3L (L = Cl-, O-, OCH3, CH3) to Substituted Ketenes: A Computational Study Inorg. Chim. Acta. 441C, pp. 57-66
7. Richard Tia, Issahaku Ahmed, Evans Adei (2015) A Density Functional Theory Study of the Mechanisms of Addition of Transition Metal Oxides ReO3L (L = Cl-, O-, OCH3, CH3) to Substituted Ketenes. Journal of Theoretical and Computational Chemistry 4(5), 155035
8. Albert Aniagyei, Richard Tia and Evans Adei (2013) A theoretical study of the mechanisms of oxidation of ethylene by manganese oxo complexes. Dalton Trans. 2013, 42 (40), 14411 – 14423.
9. Albert Aniagyei, Richard Tia and Evans Adei (2013) A density functional theory study of the mechanisms of oxidation of ethylene by rhenium oxide complexes. Dalton Trans.42, 10885-10897.
10. Albert Aniagyei, Richard Tia and Evans Adei (2013) A density functional theory study of the mechanisms of oxidation of ethylene by technetium oxo complexes. Comp. Theor. Chem. 1009, 70-80.
11. Richard Tia and Evans Adei (2011) [3+2] versus [2+2] addition of metal oxides across C=C bonds: A theoretical study of the mechanisms of oxidations of ethylene by osmium oxide complexes. Comp. Theor. Chem. 977, 140 – 147.
12. Richard Tia and Evans Adei (2010) Density functional theory studies of the mechanistic aspects of olefin metathesis reactions. Dalton Transactions 39, 7575– 7587.
13. Richard Tia and Evans Adei (2009) Density Functional Theory Study of the Mechanisms of Oxidation of Ethylene by Chromyl Chloride. Inorg. Chem., 48(23), 11434-11443