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Manjaly J. Ajitha - Publications

Affiliations: 
King Abdullah University of Science and Technology, Thuwal, Saudi Arabia 
Area:
density functional theory, reaction mechanism
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27 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 Liu X, Zhu F, Ajitha MJ, Zhang Y, Huang KW, Li D, Wang D. Organocatalyzed Enantioselective [2 + 2] Cycloaddition of ,-Cyclic Ketimines and Allenoates. Organic Letters. PMID 38147459 DOI: 10.1021/acs.orglett.3c03848  0.489
2023 Ajitha MJ, Haines BE, Musaev DG. Mechanism and Selectivity of Copper-Catalyzed Bromination of Distal C(sp)-H Bonds. Organometallics. 42: 2467-2476. PMID 37772274 DOI: 10.1021/acs.organomet.2c00554  0.399
2023 Wang D, Liu X, Ajitha MJ, Liu Z, Hu Y, Huang KW. Stereospecific [3+2] Cycloaddition of Chiral Arylallenes with C,N-Cyclic Azomethine Imines. Organic Letters. PMID 37114764 DOI: 10.1021/acs.orglett.3c00984  0.517
2020 Guan C, Pan Y, Zhang T, Ajitha MJ, Huang KW. An update on Formic Acid Dehydrogenation by Homogeneous Catalysis. Chemistry, An Asian Journal. PMID 32030903 DOI: 10.1002/Asia.201901676  0.514
2020 Guan C, Pan Y, Zhang T, Ajitha MJ, Huang K. Front Cover: An Update on Formic Acid Dehydrogenation by Homogeneous Catalysis (Chem. Asian J. 7/2020) Chemistry – An Asian Journal. 15: 933-933. DOI: 10.1002/Asia.202000191  0.442
2018 Ajitha MJ, Pary F, Nelson TL, Musaev DG. Unveiling the Role of Base and Additive in the Ullmann-Type of Arene-Aryl C–C Coupling Reaction Acs Catalysis. 8: 4829-4837. DOI: 10.1021/Acscatal.8B00837  0.426
2017 Li W, Ajitha MJ, Lang M, Huang K, Wang J. Catalytic Intermolecular Cross-Couplings of Azides and LUMO-Activated Unsaturated Acyl Azoliums Acs Catalysis. 7: 2139-2144. DOI: 10.1021/Acscatal.6B03674  0.536
2016 Guan C, Zhang DD, Pan Y, Iguchi M, Ajitha MJ, Hu J, Li H, Yao C, Huang MH, Min S, Zheng J, Himeda Y, Kawanami H, Huang KW. Dehydrogenation of Formic Acid Catalyzed by a Ruthenium Complex with an N,N'-Diimine Ligand. Inorganic Chemistry. PMID 27983821 DOI: 10.1021/Acs.Inorgchem.6B02334  0.522
2016 Park SY, Kim TG, Ajitha MJ, Kwac K, Lee YM, Kim H, Jung Y, Kwon OH. The critical size of hydrogen-bonded alcohol clusters as effective Brønsted bases in solutions. Physical Chemistry Chemical Physics : Pccp. PMID 27337993 DOI: 10.1039/C6Cp01650B  0.493
2016 Huang Y, Ajitha MJ, Huang KW, Zhang Z, Weng Z. A class of effective decarboxylative perfluoroalkylating reagents: [(phen)2Cu](O2CRF). Dalton Transactions (Cambridge, England : 2003). PMID 27114043 DOI: 10.1039/C6Dt00277C  0.479
2016 Ajitha MJ, Huang KW, Kwak J, Kim HJ, Chang S, Jung Y. A potential role of a substrate as a base for the deprotonation pathway in Rh-catalysed C-H amination of heteroarenes: DFT insights. Dalton Transactions (Cambridge, England : 2003). PMID 27071025 DOI: 10.1039/C6Dt00686H  0.654
2016 Liu X, Xu J, Shen C, Zhu X, Zhang P, Ajitha M, Huang K, An Z. Remote C-H Activation of Quinolines through Copper-Catalyzed Radical Cross-Coupling. Chemistry, An Asian Journal. PMID 26756288 DOI: 10.1002/Asia.201501407  0.554
2016 Ajitha MJ, Huang KW. Non-Classical C–H···X Hydrogen Bonding and Its Role in Asymmetric Organocatalysis Synthesis (Germany). DOI: 10.1055/S-0035-1562475  0.539
2016 Ajitha MJ, Huang KW. Mechanism and Regioselectivity of Rh(III)-Catalyzed Intermolecular Annulation of Aryl-Substituted Diazenecarboxylates and Alkenes: DFT Insights Organometallics. 35: 450-455. DOI: 10.1021/Acs.Organomet.5B00831  0.566
2016 Xu J, Shen C, Zhu X, Zhang P, Ajitha MJ, Huang K, An Z, Liu X. Cover Picture: Remote C−H Activation of Quinolines through Copper-Catalyzed Radical Cross-Coupling (Chem. Asian J. 6/2016) Chemistry - An Asian Journal. 11: 799-799. DOI: 10.1002/Asia.201600224  0.478
2015 Ajitha MJ, Huang KW. Role of keto-enol tautomerization in a chiral phosphoric acid catalyzed asymmetric thiocarboxylysis of meso-epoxide: a DFT study. Organic & Biomolecular Chemistry. PMID 26393538 DOI: 10.1039/C5Ob01473E  0.556
2015 Yoo C, Ajitha MJ, Jung Y, Lee Y. Mechanistic Study on C-C Bond Formation of a Nickel(I) Monocarbonyl Species with Alkyl Iodides: Experimental and Computational Investigations Organometallics. 34: 4305-4311. DOI: 10.1021/Acs.Organomet.5B00548  0.528
2015 Zhang J, Ajitha MJ, He L, Liu K, Dai B, Huang KW. Enantioselective organocatalyzed Oxa-Michael-Aldol cascade reactions: Construction of chiral 4H-chromenes with a trifluoromethylated tetrasubstituted carbon stereocenter Advanced Synthesis and Catalysis. 357: 967-973. DOI: 10.1002/Adsc.201400977  0.507
2014 Kim HJ, Ajitha MJ, Lee Y, Ryu J, Kim J, Lee Y, Jung Y, Chang S. Hydrogen-bond-assisted controlled C-H functionalization via adaptive recognition of a purine directing group. Journal of the American Chemical Society. 136: 1132-40. PMID 24377460 DOI: 10.1021/Ja4118472  0.57
2013 Suresh CH, Ajitha MJ. DFT prediction of multitopic N-heterocyclic carbenes using Clar's aromatic sextet theory. The Journal of Organic Chemistry. 78: 3918-24. PMID 23461408 DOI: 10.1021/Jo400305X  0.595
2013 Ajitha MJ, Suresh CH. Role of base assisted proton transfer in N-heterocyclic carbene-catalyzed intermolecular Stetter reaction Tetrahedron Letters. 54: 7144-7146. DOI: 10.1016/J.Tetlet.2013.10.116  0.641
2012 Ajitha MJ, Mohanlal S, Suresh CH, Jayalekshmy A. DPPH radical scavenging activity of tricin and its conjugates isolated from "Njavara" rice bran: a density functional theory study. Journal of Agricultural and Food Chemistry. 60: 3693-9. PMID 22397636 DOI: 10.1021/Jf204826E  0.543
2012 Ajitha MJ, Suresh CH. Assessment of stereoelectronic factors that influence the CO2 fixation ability of N-heterocyclic carbenes: a DFT study. The Journal of Organic Chemistry. 77: 1087-94. PMID 22195982 DOI: 10.1021/Jo202382G  0.59
2011 Vijayalakshmi KP, Mohan N, Ajitha MJ, Suresh CH. Mechanism of epoxide hydrolysis in microsolvated nucleotide bases adenine, guanine and cytosine: a DFT study. Organic & Biomolecular Chemistry. 9: 5115-22. PMID 21629892 DOI: 10.1039/C1Ob05093A  0.623
2011 Ajitha MJ, Suresh CH. Role of stereoelectronic features of imine and enamine in (S)-proline catalyzed Mannich reaction of acetaldehyde: an in silico study. Journal of Computational Chemistry. 32: 1962-70. PMID 21480300 DOI: 10.1002/Jcc.21780  0.607
2011 Ajitha MJ, Suresh CH. NHC catalyzed CO2 fixation with epoxides: Probable mechanisms reveal ter molecular pathway Tetrahedron Letters. 52: 5403-5406. DOI: 10.1016/J.Tetlet.2011.08.062  0.538
2011 Ajitha MJ, Suresh CH. A higher energy conformer of (S)-proline is the active catalyst in intermolecular aldol reaction: Evidence from DFT calculations Journal of Molecular Catalysis a: Chemical. 345: 37-43. DOI: 10.1016/J.Molcata.2011.05.016  0.626
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