| CO 2 activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study CR Kwawu, R Tia, E Adei, NY Dzade, CRA Catlow, NH De Leeuw Physical Chemistry Chemical Physics 19 (29), 19478-19486, 2017 | 27 | 2017 |
| Effect of nickel monolayer deposition on the structural and electronic properties of the low miller indices of (bcc) iron: A DFT study CR Kwawu, R Tia, E Adei, NY Dzade, CRA Catlow, NH De Leeuw Applied Surface Science 400, 293-303, 2017 | 15 | 2017 |
| A DFT investigation of the mechanisms of CO2 and CO methanation on Fe (111) CR Kwawu, A Aniagyei, R Tia, E Adei Materials for Renewable and Sustainable Energy 9, 1-7, 2020 | 11 | 2020 |
| Mechanism of guaiacol hydrodeoxygenation on cu (111): Insights from density functional theory studies D Konadu, CR Kwawu, R Tia, E Adei, NH de Leeuw Catalysts 11 (4), 523, 2021 | 8 | 2021 |
| Mechanisms of CO2 reduction into CO and formic acid on Fe (100): a DFT study CR Kwawu, A Aniagyei, D Konadu, BY Antwi Materials for Renewable and Sustainable Energy 10 (2), 9, 2021 | 7 | 2021 |
| A review on the computational studies of the reaction mechanisms of CO2 conversion on pure and bimetals of late 3d metals CR Kwawu, A Aniagyei Journal of Molecular Modeling 27 (7), 200, 2021 | 6 | 2021 |
| First-principles DFT insights into the mechanisms of CO2 reduction to CO on Fe (100)-Ni bimetals CR Kwawu, A Aniagyei, D Konadu, E Menkah, R Tia Theoretical Chemistry Accounts 141 (3), 18, 2022 | 3 | 2022 |
| Permanganyl chloride-mediated oxidation of tetramethylethylene: A density functional theory study A Aniagyei, C Kwawu, R Tia, E Adei Journal of Molecular Graphics and Modelling 98, 107616, 2020 | 3 | 2020 |
| Catalytic degradation and reforming pathways of guaiacol (lignin monomer) on Ru and Ni modified Cu (111) CR Kwawu, D Konadu, P Boamah, KF Mohammed, ID Boateng, E Adei MRS Advances 8 (11), 626-639, 2023 | 1 | 2023 |
| Details of CO2 electrochemical reduction reaction (CO2ERR) on Mn–MoS2 monolayer: a DFT study A Afugu, CR Kwawu, E Menkah, R Tia, E Adei Theoretical Chemistry Accounts 142 (7), 60, 2023 | 1 | 2023 |
| A quantum mechanistic insight into the chemo-and regio-selective [3+ 2]-cycloaddition reaction of aryl hetaryl thioketones with diazoalkanes and nitrile oxide derivatives G Amankwah, I Ofori, J Atta-Kumi, CR Kwawu, R Tia, E Adei Journal of Molecular Graphics and Modelling 120, 108418, 2023 | 1 | 2023 |
| DFT studies of the effect of sulfur impurities on the structural, electronic and magnetic properties of iron (100) E Dumba, CR Kwawu, AK Agyemang, E Menkah, E Adei Theoretical Chemistry Accounts 142 (2), 14, 2023 | 1 | 2023 |
| A DFT study of the oxygen reduction reaction mechanism on be doped graphene CR Kwawu, A Aniagyei, D Konadu, K Limbey, E Menkah, R Tia, E Adei Chemical Papers 76 (7), 4471-4480, 2022 | 1 | 2022 |
| Perceptions of workers on the benefits of institutional source sorting: A case of the Council for Scientific and Industrial Research - Institute of Industrial Research (CSIR … CRK A. B. Yeboah, J. K. Adu-Ntim, J. Koranteng, T. A. Tagbor, A. Aniagyei Ghana Journal of Science 62 (1), 51 -59, 2021 | 1 | 2021 |
| A quantum mechanistic investigation into the unusual reactions of nitrilimine and nitrile oxide with 2, 3, 4, 5-tetraphenylcyclopentadienone BG Akonor, A Aniagyei, CR Kwawu, G Amankwah, ES Menkah, E Adei Journal of Molecular Modeling 30 (8), 1-16, 2024 | | 2024 |
| Exploring the specific chemistries of the cycloaddition reactions of 5‐benzoyl‐3(2H)‐isothiazolone and stable nitrile oxides: Insights from Density Functional Theory … M Is‐mail, A Aniagyei, CR Kwawu, G Amankwah, E Menkah, E Adei Journal of Physical Organic Chemistry, e4645, 2024 | | 2024 |
| A computational study into the mechanism and selectivities of the reaction of 1, 1-diaryl-2-isopropylidene-3-methylenecyclopropane (DIMCP) with C, N-diarylnitrone EK Oyetey, CR Kwawu, A Aniagyei, G Amankwah, R Arhin, E Adei Theoretical Chemistry Accounts 143 (6), 1-11, 2024 | | 2024 |
| [3+ 2] Cycloaddition reaction of disubstituted-3-benzylidene succinimide with C, N-disubstituted nitrile imines for synthesizing spiro-heterocycles: A computational study G Amankwah, CR Kwawu, ES Menkah, E Adei Computational and Theoretical Chemistry 1225, 114138, 2023 | | 2023 |
| The catalytic hydrogenolysis of compounds derived from guaiacol on the Cu (111) surface: mechanisms from DFT studies D Konadu, CR Kwawu, ES Menkah, R Tia, E Adei, N de Leeuw Physical Chemistry Chemical Physics 25 (8), 6247-6252, 2023 | | 2023 |
| Supported single-atom catalysts in carbon dioxide electrochemical activation and reduction A Afugu, CR Kwawu, E Menkah, E Adei Green Sustainable Process for Chemical and Environmental Engineering and …, 2023 | | 2023 |
Richard TiaKwame Nkrumah University of Science and Technology在 knust.edu.gh 的电子邮件经过验证
