Kumar Vanka, Ph.D. - Related publications

2004 University of Calgary, Calgary, Alberta, Canada 
density functional theory, catalysis, ab initio molecular dynamics, electronic structure theory
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50 most relevant papers in past 60 days:
Year Citation  Score
2021 Dong Y, Lund CJ, Porter GJ, Clarke RM, Zheng SL, Cundari TR, Betley TA. Enantioselective C-H Amination Catalyzed by Nickel Iminyl Complexes Supported by Anionic Bisoxazoline (BOX) Ligands. Journal of the American Chemical Society. PMID 33393777 DOI: 10.1021/jacs.0c09839   
2021 Kariofillis SK, Doyle AG. Synthetic and Mechanistic Implications of Chlorine Photoelimination in Nickel/Photoredox C(sp)-H Cross-Coupling. Accounts of Chemical Research. PMID 33511841 DOI: 10.1021/acs.accounts.0c00694   
2021 Rana S, Biswas JP, Paul S, Paik A, Maiti D. Organic synthesis with the most abundant transition metal-iron: from rust to multitasking catalysts. Chemical Society Reviews. PMID 33399140 DOI: 10.1039/d0cs00688b   
2021 Wang P, Luo G, Yang J, Cong X, Hou Z, Luo Y. Theoretical Studies of Rare-Earth-Catalyzed [3 + 2] Annulation of Aromatic Aldimine with Styrene: Mechanism and Origin of Diastereoselectivity. The Journal of Organic Chemistry. PMID 33617714 DOI: 10.1021/acs.joc.0c03060   
2021 Baruah B, Deb ML. Catalyst-free and additive-free reactions enabling C-C bond formation: a journey towards a sustainable future. Organic & Biomolecular Chemistry. PMID 33480947 DOI: 10.1039/d0ob02149k   
2021 Tsuda T, Choi SM, Shintani R. Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,-Palladium Migration Coupled with -Carbopalladation of Alkyne. Journal of the American Chemical Society. PMID 33427458 DOI: 10.1021/jacs.0c12453   
2021 Zhou TP, Zhong F, Wu Y, Liao RZ. Regioselectivity and stereoselectivity of intramolecular [2 + 2] photocycloaddition catalyzed by chiral thioxanthone: a quantum chemical study. Organic & Biomolecular Chemistry. PMID 33503099 DOI: 10.1039/d0ob02330b   
2021 Huang D, Newhouse TR. Dehydrogenative Pd and Ni Catalysis for Total Synthesis. Accounts of Chemical Research. PMID 33592147 DOI: 10.1021/acs.accounts.0c00787   
2021 Ma F, Xie X, Li Y, Yan Z, Ma M. Solvent-Directed Transition Metal-Free C-C Bond Cleavage by Azido-1,3,5-triazines and Their Stability-Reactivity Paradox. The Journal of Organic Chemistry. 86: 762-769. PMID 33395741 DOI: 10.1021/acs.joc.0c02342   
2021 Zhu DX, Xia H, Liu JG, Chung LW, Xu MH. Regiospecific and Enantioselective Arylvinylcarbene Insertion of a C-H Bond of Aniline Derivatives Enabled by a Rh(I)-Diene Catalyst. Journal of the American Chemical Society. PMID 33535750 DOI: 10.1021/jacs.0c13191   
2021 Li P, Wang L, Perveen S, Ouyang Y, Zhang S, Jiao J, He G, Nie Y. Well-Defined, Versatile and Recyclable Half-Sandwich Nickelacarborane Catalyst for Selective Carbene Transfer Reactions. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33458881 DOI: 10.1002/chem.202005014   
2021 He Y, Shi Q, Shan W, Li X, Kropf AJ, Wegener EC, Wright J, Karakalos S, Su D, Cullen DA, Wang G, Myers DJ, Wu G. Dynamically Unveiling Metal-Nitrogen Coordination during Thermal Activation to Design High-Efficient Atomically Dispersed CoN4 Active Sites. Angewandte Chemie (International Ed. in English). PMID 33492674 DOI: 10.1002/anie.202017288   
2021 Yu Z, Xiao X. Co-Catalyzed Asymmetric Intramolecular [3+2] Cycloaddition of Yne-Alkylidenecyclopropanes and Reaction Mechanism. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33554413 DOI: 10.1002/chem.202100426   
2021 Liu G, Tian K, Li C, You C, Tan X, Zhang H, Zhang X, Dong XQ. Nickel-Catalyzed Asymmetric Hydrogenation of Cyclic Alkenyl Sulfones, Benzo[]thiophene 1,1-Dioxides, with Mechanistic Studies. Organic Letters. PMID 33471538 DOI: 10.1021/acs.orglett.0c03723   
2021 Bi X, Wu Y, Cao S, Douair I, Maron L. Computational insight into the different mechanisms of Ag-, Cu-, and Pd-catalyzed cyclopropanation of alkenes and sulfonyl hydrazones. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33443293 DOI: 10.1002/chem.202005193   
2021 Davison RT, Kuker EL, Dong VM. Teaching Aldehydes New Tricks Using Rhodium- and Cobalt-Hydride Catalysis. Accounts of Chemical Research. PMID 33533586 DOI: 10.1021/acs.accounts.0c00771   
2021 Zhang G, Song YK, Zhang F, Xue ZJ, Li MY, Zhang GS, Zhu BB, Wei J, Li C, Feng CG, Lin GQ. Palladium-catalyzed allene synthesis enabled by β-hydrogen elimination from sp-carbon. Nature Communications. 12: 728. PMID 33526773 DOI: 10.1038/s41467-020-20740-w   
2021 Singh H, Sen C, Suresh E, Panda AB, Ghosh SC. C-H Amidation and Amination of Arenes and Heteroarenes with Amide and Amine using Cu-MnO as a Reusable Catalyst under Mild Conditions. The Journal of Organic Chemistry. PMID 33522804 DOI: 10.1021/acs.joc.0c02603   
2021 Wang Y, Zhou Z, Zhao L, He C, Sun W, Duan C. Ir-Porphyrin-Based Metal-Organic Framework as a Dual Metallo- and Photocatalyst for Inert Alkyl C(sp)H Bond Activation and Direct Functionalization. Acs Applied Materials & Interfaces. PMID 33625823 DOI: 10.1021/acsami.0c22276   
2021 Singha R, Chettri S, Brahman D, Sinha B, Ghosh P. Environmentally benign approach towards C-S cross-coupling reaction by organo-copper(II) complex. Molecular Diversity. PMID 33389559 DOI: 10.1007/s11030-020-10180-5   
2021 Li MH, Si XJ, Zhang H, Yang D, Niu JL, Song MP. Directed Cobalt-Catalyzed C-H Activation to Form C-C and C-O Bonds in One Pot via Three-Component Coupling. Organic Letters. PMID 33475370 DOI: 10.1021/acs.orglett.0c04122   
2021 Wang G, Zhang Q, Wei C, Zhang Y, Zhang L, Huang J, Wei D, Fu Z, Huang W. Asymmetric Carbene-Catalyzed Oxidation of Functionalized Aldimines as 1,4-Dipoles. Angewandte Chemie (International Ed. in English). PMID 33443785 DOI: 10.1002/anie.202017017   
2021 Wagener T, Lückemeier L, Daniliuc CG, Glorius F. Interrupted Pyridine Hydrogenation: Asymmetric Synthesis of δ-Lactams. Angewandte Chemie (International Ed. in English). PMID 33460521 DOI: 10.1002/anie.202016771   
2021 Tiburcio E, Greco R, Mon M, Ballesteros-Soberanas J, Ferrando-Soria J, López-Haro M, Hernández-Garrido JC, Oliver-Meseguer J, Marini C, Boronat M, Armentano D, Leyva-Pérez A, Pardo E. Soluble/MOF-Supported Palladium Single Atoms Catalyze the Ligand-, Additive-, and Solvent-Free Aerobic Oxidation of Benzyl Alcohols to Benzoic Acids. Journal of the American Chemical Society. PMID 33535758 DOI: 10.1021/jacs.0c12367   
2021 Treacy SM, Rovis T. Copper Catalyzed C(sp)-H Bond Alkylation via Photoinduced Ligand-to-Metal Charge Transfer. Journal of the American Chemical Society. PMID 33576606 DOI: 10.1021/jacs.1c00687   
2021 Yilmaz O, Dengiz C, Emmert MH. Iron-Catalyzed α-C-H Cyanation of Simple and Complex Tertiary Amines. The Journal of Organic Chemistry. PMID 33464080 DOI: 10.1021/acs.joc.0c02642   
2021 Qin Y, Sun R, Gianoulis NP, Nocera DG. Photoredox Nickel-Catalyzed C-S Cross-Coupling: Mechanism, Kinetics, and Generalization. Journal of the American Chemical Society. 143: 2005-2015. PMID 33464049 DOI: 10.1021/jacs.0c11937   
2021 Buchspies J, Rahman MM, Szostak M. Transamidation of Amides and Amidation of Esters by Selective N-C(O)/O-C(O) Cleavage Mediated by Air- and Moisture-Stable Half-Sandwich Nickel(II)-NHC Complexes. Molecules (Basel, Switzerland). 26. PMID 33401664 DOI: 10.3390/molecules26010188   
2021 Lee W, Jung S, Kim M, Hong S. Site-Selective Direct C-H Pyridylation of Unactivated Alkanes by Triplet Excited Anthraquinone. Journal of the American Chemical Society. PMID 33557526 DOI: 10.1021/jacs.1c00549   
2021 Qin F, Chen W. Copper-based single-atom alloys for heterogeneous catalysis. Chemical Communications (Cambridge, England). PMID 33616591 DOI: 10.1039/d1cc00062d   
2021 Yi J, Zhan S, Chen L, Tian Q, Wang N, Li J, Xu W, Zhang B, Ahlquist MSG. Electrostatic Interactions Accelerating Water Oxidation Catalysis via Intercatalyst O-O Coupling. Journal of the American Chemical Society. PMID 33538597 DOI: 10.1021/jacs.0c07103   
2021 Liu H, Shi L, Zhang Q, Qi P, Zhao Y, Meng Q, Feng X, Wang H, Ye J. Photothermal catalysts for hydrogenation reactions. Chemical Communications (Cambridge, England). PMID 33521801 DOI: 10.1039/d0cc07144g   
2021 Liu H, Shi L, Zhang Q, Qi P, Zhao Y, Meng Q, Feng X, Wang H, Ye J. Photothermal catalysts for hydrogenation reactions. Chemical Communications (Cambridge, England). PMID 33521801 DOI: 10.1039/d0cc07144g   
2021 Rayder TM, Bensalah AT, Li B, Byers JA, Tsung CK. Engineering Second Sphere Interactions in a Host-Guest Multicomponent Catalyst System for the Hydrogenation of Carbon Dioxide to Methanol. Journal of the American Chemical Society. PMID 33464883 DOI: 10.1021/jacs.0c08957   
2021 Liu X, Liu B, Shi Z, Tan C, Fan R, Li Z, Tan J. Hf(OTf)-Catalyzed 1,6-Conjugate Addition of 2-Alkyl-azaarenes to -Quinone Methides. The Journal of Organic Chemistry. PMID 33523665 DOI: 10.1021/acs.joc.0c02982   
2021 Wang T, Cao X, Jiao L. MOFs-Derived Carbon-Based Metal Catalysts for Energy-Related Electrocatalysis. Small (Weinheim An Der Bergstrasse, Germany). e2004398. PMID 33458960 DOI: 10.1002/smll.202004398   
2021 Khairudin NF, Mohammadi M, Mohamed AR. An investigation on the relationship between physicochemical characteristics of alumina-supported cobalt catalyst and its performance in dry reforming of methane. Environmental Science and Pollution Research International. PMID 33550559 DOI: 10.1007/s11356-021-12794-0   
2021 Chen X, Zhao J, Dong M, Yang N, Wang J, Zhang Y, Liu K, Tong X. Pd(0)-Catalyzed Asymmetric Carbohalogenation: H-Bonding-Driven C(sp)-Halogen Reductive Elimination under Mild Conditions. Journal of the American Chemical Society. PMID 33471527 DOI: 10.1021/jacs.0c10797   
2021 Arora V, Narjinari H, Nandi PG, Kumar A. Recent advances in pincer-nickel catalyzed reactions. Dalton Transactions (Cambridge, England : 2003). PMID 33595564 DOI: 10.1039/d0dt03593a   
2021 Yang X, Xie Y, Xu J, Ren S, Mondal B, Zhou L, Tian W, Zhang X, Hao L, Jin Z, Chi YR. Carbene-Catalyzed Activation of Remote Nitrogen Atoms of (benz)imidazole-derived aldimines for Enantioselective Synthesis of Heterocycles. Angewandte Chemie (International Ed. in English). PMID 33469976 DOI: 10.1002/anie.202016506   
2021 Wang YX, Wang HM, Meng P, Song DX, Hou JJ, Zhang XM. An uncoordinated tertiary nitrogen based tricarboxylate calcium network with Lewis acid-base dual catalytic sites for cyanosilylation of aldehydes. Dalton Transactions (Cambridge, England : 2003). PMID 33459307 DOI: 10.1039/d0dt03747h   
2021 Lan T, Chen L, Zhang N, Wang J. Synthesis and ethylene polymerization reaction of dendritic titanium catalysts. Designed Monomers and Polymers. 24: 13-21. PMID 33536834 DOI: 10.1080/15685551.2020.1868666   
2021 Sheng Y, Zhou J, Gao Y, Duan B, Wang Y, Samorodov A, Liang G, Zhao Q, Song Z. Ruthenium(II)-Catalyzed Direct C7-Selective Amidation of Indoles with Dioxazolones at Room Temperature. The Journal of Organic Chemistry. PMID 33467848 DOI: 10.1021/acs.joc.0c02779   
2021 Paul M, Hoffmann A, Herres-Pawlis S. Room temperature stable multitalent: highly reactive and versatile copper guanidine complexes in oxygenation reactions. Journal of Biological Inorganic Chemistry : Jbic : a Publication of the Society of Biological Inorganic Chemistry. PMID 33595752 DOI: 10.1007/s00775-021-01849-9   
2021 P R, Almansour AI, Arumugam N, Yaragorla S. Calcium-catalyzed formal [3 + 2] annulation of ,-diacyliminium ions with nucleophilic phenols: a diversity oriented synthesis of 3-aminofurans. Organic & Biomolecular Chemistry. PMID 33416820 DOI: 10.1039/d0ob02276d   
2021 Dethe DH, Beeralingappa NC, Uike A. Ruthenium-Catalyzed Oxidative Cross-Coupling Reaction of Activated Olefins with Vinyl Boronates for the Synthesis of (,)-1,3-Dienes. The Journal of Organic Chemistry. PMID 33541080 DOI: 10.1021/acs.joc.0c02823   
2021 Chee SW, Lunkenbein TL, Schlögl R, Cuenya BR. andelectron microscopy in heterogeneous catalysis - Insights into multi-scale chemical dynamics. Journal of Physics. Condensed Matter : An Institute of Physics Journal. PMID 33472184 DOI: 10.1088/1361-648X/abddfd   
2021 Nunewar S, Kumar S, Talakola S, Nanduri S, Kanchupalli V. Co(III), Rh(III) & Ir(III)-Catalyzed Direct C-H Alkylation/ Alkenylation/ Arylation with carbene precursors. Chemistry, An Asian Journal. PMID 33448653 DOI: 10.1002/asia.202001219   
2021 Pandey VK, Tiwari CS, Rit A. Silver-Catalyzed Hydroboration of C-X (X = C, O, N) Multiple Bonds. Organic Letters. PMID 33587644 DOI: 10.1021/acs.orglett.1c00106   
2021 Liu P, Tung NT, Xu X, Yang J, Li F. -Methylation of Amines with Methanol in the Presence of Carbonate Salt Catalyzed by a Metal-Ligand Bifunctional Ruthenium Catalyst [(-cymene)Ru(2,2'-bpyO)(HO)]. The Journal of Organic Chemistry. PMID 33502847 DOI: 10.1021/acs.joc.0c02685