☰

Evans Adei, Ph.D - Publications

Affiliations: 
Chemistry University of California, Irvine, Irvine, CA 
Area:
Computational Quantum / Theoretical Chemistry
Website:
http://www.knust.edu.gh/pages/sections.php?siteid=chemistry&mid=806&sid=2758&id=573
Tree Info Similar researchers PubMed Report error

56 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Safo MA, Ofori I, Adei E, Aniagyei A. Theoretical insight into the unexpected initial (3 + 2) cycloaddition reaction of mesitonitrile oxide with 1, 4-diazepine derivatives: A computational study. Journal of Molecular Graphics & Modelling. 123: 108515. PMID 37220699 DOI: 10.1016/j.jmgm.2023.108515  0.47
2023 Arhin R, Ofori I, Fosu A, Tia R, Adei E, Aniagyei A. Exploring the peri- and stereo- selectivities of the cycloaddition reaction of 2-(2- dimethylaminovinyl)-1-benzopyran-4-one with N-phenylmaleimide (NPM) and dimethylacetylenedicarboxylate (DMAD) - A DFT study. Journal of Molecular Graphics & Modelling. 121: 108451. PMID 36924702 DOI: 10.1016/j.jmgm.2023.108451  0.851
2023 Konadu D, Kwawu CR, Menkah ES, Tia R, Adei E, de Leeuw N. The catalytic hydrogenolysis of compounds derived from guaiacol on the Cu (111) surface: mechanisms from DFT studies. Physical Chemistry Chemical Physics : Pccp. PMID 36757284 DOI: 10.1039/d2cp04352a  0.798
2023 Amankwah G, Ofori I, Atta-Kumi J, Kwawu CR, Tia R, Adei E. A quantum mechanistic insight into the chemo- and regio-selective [3 + 2]-cycloaddition reaction of aryl hetaryl thioketones with diazoalkanes and nitrile oxide derivatives. Journal of Molecular Graphics & Modelling. 120: 108418. PMID 36709702 DOI: 10.1016/j.jmgm.2023.108418  0.818
2023 Abdullah H, Abdulai AY, Tia R, Adei E. Quantum Mechanical Elucidation on [3+2] cycloaddition reaction of aryl nitrile oxide with cyclopentenones. Journal of Molecular Graphics & Modelling. 120: 108421. PMID 36706571 DOI: 10.1016/j.jmgm.2023.108421  0.843
2022 Mensah M, Tia R, Adei E, de Leeuw NH. A DFT Mechanistic Study on Base-Catalyzed Cleavage of the -O-4 Ether Linkage in Lignin: Implications for Selective Lignin Depolymerization. Frontiers in Chemistry. 10: 793759. PMID 35252111 DOI: 10.3389/fchem.2022.793759  0.823
2021 Fosu A, Pipim GB, Tia R, Adei E. Does the reaction of nitrone derivatives with allenoates proceed by an initial (3 + 2) cycloaddition or O-Nucleophilic addition? A quantum chemical investigation. Journal of Molecular Graphics & Modelling. 109: 108036. PMID 34614454 DOI: 10.1016/j.jmgm.2021.108036  0.819
2021 Ofori I, Pipim GB, Tia R, Adei E. A DFT study of the double (3 + 2) cycloaddition of nitrile oxides and allenoates for the formation of spirobiisoxazolines. Journal of Molecular Graphics & Modelling. 109: 108033. PMID 34534890 DOI: 10.1016/j.jmgm.2021.108033  0.835
2021 Tawiah A, Pipim GB, Tia R, Adei E. Exploring the chemo-, regio-, and stereoselectivities of the (3 + 2) cycloaddition reaction of 5,5-dimethyl-3-methylene-2-pyrrolidinone with C,N-diarylnitrones and nitrile oxide derivatives: a DFT study. Journal of Molecular Modeling. 27: 287. PMID 34532750 DOI: 10.1007/s00894-021-04911-0  0.84
2021 Atta-Kumi J, Pipim GB, Tia R, Adei E. Investigating the site-, regio-, and stereo-selectivities of the reactions between organic azide and 7-heteronorbornadiene: a DFT mechanistic study. Journal of Molecular Modeling. 27: 248. PMID 34387742 DOI: 10.1007/s00894-021-04857-3  0.847
2021 Abdulai AY, Tia R, Adei E. A DFT mechanistic study on oxidative dehydrogenative Diels-Alder reaction of alkylbenzenes. Journal of Molecular Graphics & Modelling. 104: 107839. PMID 33524922 DOI: 10.1016/j.jmgm.2021.107839  0.836
2020 Akuamoah DA, Tia R, Adei E. Computational study on the mechanism of the reaction of benzenesulfonyl azides with oxabicyclic alkenes. Journal of Molecular Modeling. 26: 314. PMID 33098013 DOI: 10.1007/s00894-020-04582-3  0.838
2020 Pipim GB, Tia R, Adei E. (3 + 2) cycloaddition reaction of 7-isopropylidenebenzonorbornadiene and diazomethane derivatives: A theoretical study. Journal of Molecular Graphics & Modelling. 101: 107713. PMID 32882633 DOI: 10.1016/J.Jmgm.2020.107713  0.859
2020 Pipim GB, Tia R, Adei E. Investigating the regio-, stereo-, and enantio-selectivities of the 1,3-dipolar cycloaddition reaction of C-cyclopropyl-N-phenylnitrone derivatives and benzylidenecyclopropane derivatives: A DFT study. Journal of Molecular Graphics & Modelling. 100: 107672. PMID 32659628 DOI: 10.1016/J.Jmgm.2020.107672  0.849
2020 Aniagyei A, Kwawu C, Tia R, Adei E. Permanganyl chloride-mediated oxidation of tetramethylethylene: A density functional theory study. Journal of Molecular Graphics & Modelling. 98: 107616. PMID 32302937 DOI: 10.1016/J.Jmgm.2020.107616  0.818
2020 Pipim GB, Opoku E, Tia R, Adei E. Peri-, Chemo-, Regio-, Stereo- and Enantio-Selectivities of 1,3-dipolar cycloaddition reaction of C,N-Disubstituted nitrones with disubstituted 4-methylene-1,3-oxazol-5(4H)- one: A quantum mechanical study. Journal of Molecular Graphics & Modelling. 97: 107542. PMID 32004806 DOI: 10.1016/J.Jmgm.2020.107542  0.836
2020 Umar AR, Tia R, Adei E. DFT mechanistic studies on the regio-, stereo-, and enantio-selectivity of 1,3 dipolar cycloadditions of quinolinium imides with olefins, maleimides, and benzynes for the synthesis of fused N,N'-heterocycles. Journal of Molecular Modeling. 26: 36. PMID 31989273 DOI: 10.1007/S00894-020-4299-6  0.831
2020 Amoah A, Tia R, Adei E. A DFT mechanistic study on [4 + 3] cycloaddition reactions of oxyallyl cations and five-membered cyclopentadiene derivatives Tetrahedron. 76: 131422. DOI: 10.1016/J.Tet.2020.131422  0.833
2020 Kwawu CR, Aniagyei A, Tia R, Adei E. A DFT investigation of the mechanisms of CO2 and CO methanation on Fe (111) Materials For Renewable and Sustainable Energy. 9. DOI: 10.1007/S40243-020-0164-X  0.799
2020 Akuamoah DA, Opoku E, Tia R, Adei E. 1,3-Dipolar cycloaddition reaction of indoles with tosyl azide, subsequent dehydroaromatization and ring-opening cascade: a computational study Theoretical Chemistry Accounts. 139. DOI: 10.1007/S00214-020-02653-5  0.842
2020 Opoku E, Arhin G, Pipim GB, Adams AH, Tia R, Adei E. Site-, enantio- and stereo-selectivities of the 1,3-dipolar cycloaddition reactions of oxanorbornadiene with C,N-disubstituted nitrones and dimethyl nitrilimines: a DFT mechanistic study Theoretical Chemistry Accounts. 139. DOI: 10.1007/S00214-019-2529-8  0.845
2020 Samba WK, Tia R, Adei E. Regio‐, enantio‐, peri‐, and stereo‐selectivities of the reactions of five‐membered cyclodiene derivatives with itaconic anhydride toward the formation of norbornene lactones Journal of Physical Organic Chemistry. DOI: 10.1002/Poc.4132  0.841
2020 Opoku E, Baffour Pipim G, Tia R, Adei E. Mechanistic study of the tandem intramolecular (4 + 2)/intermolecular (3 + 2) cycloaddition reactions for the formation of polyaza‐ and polyisoxazolidine‐steroids Journal of Heterocyclic Chemistry. 57: 1748-1758. DOI: 10.1002/Jhet.3900  0.852
2019 Borketey JB, Opoku E, Tia R, Adei E. The mechanisms of gallium-catalysed skeletal rearrangement of 1,6-enynes - Insights from quantum mechanical computations. Journal of Molecular Graphics & Modelling. 94: 107476. PMID 31627116 DOI: 10.1016/J.Jmgm.2019.107476  0.811
2019 Roland D, Haleegoah JN, Opoku E, Tia R, Adei E. Mechanistic studies on tandem cascade [4 + 2]/ [3 + 2] cycloaddition of 1,3,4-oxadiazoles with olefins. Journal of Molecular Graphics & Modelling. 93: 107452. PMID 31541992 DOI: 10.1016/J.Jmgm.2019.107452  0.838
2019 Arhin G, Adams AH, Opoku E, Tia R, Adei E. 1, 3-Dipolar cycloaddition reactions of selected 1,3-dipoles with 7-isopropylidenenorbornadiene and follow-up thermolytic cleavage: A computational study. Journal of Molecular Graphics & Modelling. 92: 267-279. PMID 31425904 DOI: 10.1016/J.Jmgm.2019.08.004  0.831
2019 Opoku E, Tia R, Adei E. Quantum chemical studies on the mechanistic aspects of tandem sequential cycloaddition reactions of cyclooctatetraene with ester and nitrones. Journal of Molecular Graphics & Modelling. 92: 17-31. PMID 31302500 DOI: 10.1016/J.Jmgm.2019.06.019  0.829
2019 Opoku E, Tia R, Adei E. Computational studies on [4 + 2] / [3 + 2] tandem sequential cycloaddition reactions of functionalized acetylenes with cyclopentadiene and diazoalkane for the formation of norbornene pyrazolines. Journal of Molecular Modeling. 25: 168. PMID 31119394 DOI: 10.1007/S00894-019-4056-X  0.844
2019 Menkah ES, Dzade NY, Tia R, Adei E, de Leeuw NH. Hydrazine adsorption on perfect and defective fcc nickel (100), (110) and (111) surfaces: A dispersion corrected DFT-D2 study Applied Surface Science. 480: 1014-1024. DOI: 10.1016/J.Apsusc.2019.02.128  0.782
2019 Opoku E, Tia R, Adei E. DFT mechanistic study on tandem sequential [4 + 2]/[3 + 2] addition reaction of cyclooctatetraene with functionalized acetylenes and nitrile imines Journal of Physical Organic Chemistry. 32. DOI: 10.1002/Poc.3992  0.841
2018 Aniagyei A, Dzade NY, Tia R, Adei E, Catlow CRA, de Leeuw NH. Ab initio investigation of O adsorption on Ca-doped LaMnO cathodes in solid oxide fuel cells. Physical Chemistry Chemical Physics : Pccp. 20: 28685-28698. PMID 30411098 DOI: 10.1039/C8Cp02137F  0.784
2018 Boafo EA, Darko K, Afriyie BA, Tia R, Adei E. Trapping of 1,2-cyclohexadiene: A DFT mechanistic study on the reaction of 1,2-cyclohexadiene with olefins and nitrones. Journal of Molecular Graphics & Modelling. 81: 1-13. PMID 29455042 DOI: 10.1016/J.Jmgm.2018.02.003  0.848
2018 Gyamfi AO, Yeboah MA, Tia R, Adei E. Computational study on the mechanism of transition metal-catalyzed formation of highly substituted furo [3,4-d] [1,2] oxazines Journal of Theoretical and Computational Chemistry. 17: 1850011. DOI: 10.1142/S0219633618500116  0.845
2018 Nantogma S, Tia R, Adei E. A DFT mechanistic study of the generation of azomethine ylides from the ring-opening reactions of stabilized aziridines and follow-up 1,3-dipolar cycloaddition reactions with acetaldehyde Computational and Theoretical Chemistry. 1144: 38-49. DOI: 10.1016/J.Comptc.2018.10.002  0.846
2018 Fosu E, Botchway CH, Tia R, Adei E. Diels-Alder cycloaddition versus ring-opening esterification: A computational study of the mechanism of formation of oxa-norbonene lactones from the reaction of furfuryl alcohol and itaconic anhydride Computational and Theoretical Chemistry. 1138: 7-14. DOI: 10.1016/J.Comptc.2018.05.019  0.846
2017 Bekoe S, Osei MK, Tia R, Adei E. Density functional theory studies on the generation of trimethylenemethanes from the ring opening of dialkoxymethylenecyclopropanes and methylenecyclopropanethioacetals and follow-up reactions. Journal of Molecular Modeling. 24: 24. PMID 29270701 DOI: 10.1007/S00894-017-3558-7  0.839
2017 Kwawu CR, Tia R, Adei E, Dzade NY, Catlow CRA, de Leeuw NH. CO2 activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study. Physical Chemistry Chemical Physics : Pccp. PMID 28718470 DOI: 10.1039/C7Cp03466K  0.772
2017 Boateng IW, Tia R, Adei E, Dzade NY, Catlow CR, de Leeuw NH. A DFT+U investigation of hydrogen adsorption on the LaFeO3(010) surface. Physical Chemistry Chemical Physics : Pccp. PMID 28243636 DOI: 10.1039/C6Cp08698E  0.777
2017 Kwawu CR, Tia R, Adei E, Dzade NY, Catlow CRA, de Leeuw NH. 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: 293-303. DOI: 10.1016/J.Apsusc.2016.12.187  0.771
2016 Mensah M, Amepetey EE, Tia R, Adei E. 1,3-Dipolar [3 + 2] cycloaddition reactions of N,C,C-trisubstituted nitrones with ring-acceptor methylenecyclopropanes: a computational study. Springerplus. 5: 2072. PMID 28018780 DOI: 10.1186/S40064-016-3758-0  0.825
2016 Ahmed I, Tia R, Adei E. A quantum chemical study of the mechanisms of olefin addition to group 9 transition metal dioxo compounds. Springerplus. 5: 867. PMID 27386316 DOI: 10.1186/S40064-016-2582-X  0.848
2016 Aniagyei A, Tia R, Adei E. A computational study of the addition of ReO3L (L = Cl(-), CH3, OCH3 and Cp) to ethenone. Springerplus. 5: 354. PMID 27066367 DOI: 10.1186/S40064-016-2012-0  0.827
2016 Awuah JB, Dzade NY, Tia R, Adei E, Kwakye-Awuah B, Richard A Catlow C, de Leeuw NH. A density functional theory study of arsenic immobilization by the Al(iii)-modified zeolite clinoptilolite. Physical Chemistry Chemical Physics : Pccp. PMID 27052997 DOI: 10.1039/C6Cp00190D  0.764
2016 Opoku E, Tia R, Adei E. [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. 2016: 1-10. DOI: 10.1155/2016/4538696  0.845
2016 Ahmed I, Tia R, Adei E. Exploring the peri-, chemo-, and regioselectivity of addition of technetium metal oxides of the type TcO3L (L = Cl–, O–, OCH3, CH3) to substituted ketenes: a DFT computational study Canadian Journal of Chemistry. 94: 523-532. DOI: 10.1139/Cjc-2015-0295  0.825
2016 Fosu E, Tia R, Adei E. Mechanistic studies on Diels-Alder [4 + 2] cycloaddition reactions of α,β-substituted cyclobutenones: Role of substituents in regio- and stereoselectivity Tetrahedron. 72: 8261-8273. DOI: 10.1016/J.Tet.2016.10.063  0.826
2016 Ahmed I, Tia R, Adei E. 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 Inorganica Chimica Acta. 441: 57-66. DOI: 10.1016/J.Ica.2015.11.006  0.851
2016 TIA R, ADEI E, BAIDOO J, EDOR J. Quantum chemical study of the mechanisms of oxidation of ethylene by Molybdyl and Tungstyl Chloride Journal of Chemical Sciences. 128: 707-718. DOI: 10.1007/S12039-016-1065-5  0.817
2015 Ahmed I, Tia R, Adei E. 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. 14. DOI: 10.1142/S0219633615500352  0.842
2013 Aniagyei A, Tia R, Adei E. A theoretical study of the mechanisms of oxidation of ethylene by manganese oxo complexes. Dalton Transactions (Cambridge, England : 2003). 42: 14411-23. PMID 23963205 DOI: 10.1039/C3Dt51700D  0.824
2013 Aniagyei A, Tia R, Adei E. A density functional theory study of the mechanisms of oxidation of ethylene by rhenium oxide complexes. Dalton Transactions (Cambridge, England : 2003). 42: 10885-97. PMID 23807370 DOI: 10.1039/C3Dt50539A  0.828
2013 Aniagyei A, Tia R, Adei E. A density functional theory study of the mechanisms of oxidation of ethylene by technetium oxo complexes Computational and Theoretical Chemistry. 1009: 70-80. DOI: 10.1016/J.Comptc.2013.01.006  0.818
2011 Tia R, Adei E. [3+2] Versus [2+2] addition of metal oxides across CC bonds: A theoretical study of the mechanisms of oxidation of ethylene by osmium oxide complexes Computational and Theoretical Chemistry. 977: 140-147. DOI: 10.1016/J.Comptc.2011.09.027  0.856
2011 Tia R, Adei E. Computational studies of the mechanistic aspects of olefin metathesis reactions involving metal oxo-alkylidene complexes Computational and Theoretical Chemistry. 971: 8-18. DOI: 10.1016/J.Comptc.2011.05.032  0.852
2010 Tia R, Adei E. Density functional theory studies of the mechanistic aspects of olefin metathesis reactions. Dalton Transactions (Cambridge, England : 2003). 39: 7575-87. PMID 20623044 DOI: 10.1039/C002245D  0.826
2009 Tia R, Adei E. Density functional theory study of the mechanisms of oxidation of ethylene by chromyl chloride. Inorganic Chemistry. 48: 11434-43. PMID 19891436 DOI: 10.1021/Ic901648Y  0.824
Show low-probability matches.