67. Negi, S. S.; Gupta, P.* Alkaline Earth Metal Binding with N-Heterocyclic Carbenes: Machine Learning-Assisted Screening of Metal-Ligand Interactions. Phys. Chem. Chem. Phys. 2026, Link (DOI): 10.1039/D5CP04363H
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66. Sharma, A.; Rawal, P.; Gupta, P.* B−B Sites in Molten Boron Oxide are Superior to Cyclic B−O−B Sites for Methane Oxidation to Formaldehyde and Carbon Monoxide. Chem. Eur. J. 2026, 32(7), e02684. Link (DOI): 10.1002/chem.202502684
65. Maji, S.; Singh, N. K.; Manna, S.; Kabari, S.; Chauhan, R. S.; Guin, S.; Raul, A.; Gupta, P.*; Maiti, D.* C–H Activation Initiated Skeletal Recasting of Cyclopropane Carboxylic Acid. ACS Catal. 2026. Link (DOI): 10.1021/acscatal.5c07221
64. Thomas, A.; Gupta, P.* ICOHPs as a More Reliable Indicator than Adsorption Energies to Predict Corrosive Effects: A Density Functional Theory Investigation into Degradation of Alumina by Chlorine‐Containing Corroders. Adv. Theory Simul. 2026, 9(2), e02227. Link (DOI): 10.1002/adts.202502227
63. Hota, S. K.; Sharma, A.; Das, A.; Gupta, P.*; Murarka, S.* Visible-Light-Driven N-Alkylation of Quinoxalin-2(1H)-ones With Aryl Diazo Esters. Asian J. Org. Chem. 2026, 15(2), e70313. Link (DOI): 10.1002/ajoc.70313
62. Singh, J.; Kumar, S.; Jaysaval, M.; Gupta, P.*; Ghosh, P.* Accessing gold(I) acetylide Acyclic Aminooxy Carbene (AAOC) complexes from aryl thiolato and chloro derivatives by multiple interconnecting routes for amino indolizine synthesis by tandem A3 coupling/cyclization of alkynes, aldehydes and amines. Mol. Catal. 2026, 589, 115575. Link (DOI): 10.1016/j.mcat.2025.115575
61. Kumar, N.; Gupta, P.* Mapping the Catalytic Landscape of Triphenylborane (BPh3)-Catalyzed CO2-Epoxide Coupling to Carbonates: An In-Silico Approach to Solve Substrate-Dependent Selectivity. Catal. Sci. Technol. 2025, 15, 4661-4671. (Cover Article). Link (DOI): 10.1039/D5CY00281H
60. Sharma, A.; Gupta, P.* In Silico Studies Show that −OBO Units Bound to Stable Boron-Cages in 𝐘𝐁𝟏𝟏(𝐎𝐁𝐎)𝟏𝟐− (𝐘=C/Si) Anions Provide a Desirable Borate-Rich Solid Electrolyte Interface in Ca-Ion Batteries. ChemSusChem 2025, 18(17), e202500154. (Cover Article). Link (DOI): 10.1002/cssc.202500154
59. Gupta, S.; Gupta, P.* Ligand-Induced Selectivity in the Reaction of Conjugated Enyne with Enolic Ester: A DFT-based Mechanistic Study. Asian J. Org. Chem. 2025, 14(8), e202400819. (Cover Article). Link (DOI): 10.1002/ajoc.202400819
58. Manna, K.; Maji, S.; Sharma, A.; Kumar, N.; Gupta, P.*; Maiti, D.* Pd-Catalyzed Skeletal Rearrangement via C(sp3)-C(sp3) Activation to Access α,β-Unsaturated δ/γ-Lactone. Angew. Chem. Int. Ed. 2025, 64(11), e202423175. (HOT Article). Link (DOI): 10.1002/anie.202423175
57. Dutta, S.; Kumar, N.; Islam, M.; Ali, W.; Gupta, P.*; Maiti, D.* Cooperative Ligand-Enabled Facile Synthesis of γ-C(sp3)–H Alkenylated Aliphatic Amides: A Comprehensive Protocol to Free N–H Tolerance. ACS Catal. 2025, 15(7), 5295-5306. Link (DOI): 10.1021/acscatal.4c07905
56. Maurya, M. R.*; Nandi, M.; Kumar, S.; Gupta, P.; Avecilla, F. Symmetrical Bis-Hydrazone Ligand-Based Binuclear Oxido/Dioxido-Vanadium(IV/V) Complexes: Synthesis, Reactivity, and Catalytic Applications for the Synthesis of Biologically Potent 2-Phenylquinazolin-4-(3H)-ones. Inorg. Chem. 2025, 64(4), 1734–1751. Link (DOI): 10.1021/acs.inorgchem.4c04035
55. Maurya, M. R.*; Singh, D.; Kumar, S.; Gupta, P.; Avecilla, F. [VIVO]/[VVO]/[VVO2] Complexes of Trinucleating Ligands: Synthesis, Characterization, Structural Evidence for a Hexanuclear Complex, and Their Catalytic Potential for the Synthesis of Pyrimido[1,2-a]benzimidazoles. Inorg. Chem. 2025, 64(41), 20747–20766. Link (DOI): 10.1021/acs.inorgchem.5c03567
54. Singh, A.; Maurya, Y.; Sharma, A.; Swetha, V. S.; Nisa, M. U.; Kumar, V.; Gupta, P.; Tyagi, K.; Chatterjee, S.; An Iron-Catalyzed Sustainable Functional Group Transfer Strategy for In-Water Transformation of Organic Sulfides to Sulfoxides by a Hydroxylamine-Derived Oxidant. ChemSusChem 2025, 18(12), e202500032. Link (DOI): 10.1002/cssc.202500032
53. Kautu, A.; Sharma, S.; Kumar, N.; Waghmare, A.; Gupta, B. D.; Mondal, S.; Gupta, P.; Bhargava, Y.; Joshi, K. B.* Short Metallopeptide Conjugate Nanostructures for Selective Cadmium Capture and Detoxification. Nanoscale Advances 2026, 8, 309-318. Link (DOI): 10.1039/D5NA00969C
52. Gupta, S.; Rawal, P.; Gupta, P.* Orbitals-driven Insights for Co-Salen Catalyzed Enantioselective Hydrofunctionalization of Alkenes on Singlet and Triplet Spin States. ChemPlusChem 2025, 90(3), e202400393. Link (DOI): 10.1002/cplu.202400393
51. Kumar, N.; Gupta, P.* Every Reaction Detail Matters: An In Silico driven Step-by-Step Guide to Understand the B2O3-Catalyzed CO2 to Cyclic Carbonates Conversion. J. of Catalysis 2024, 439, 115787. Link (DOI): 10.1016/j.jcat.2024.115787
50. Maji, S.; Rawal, P.; Ghosh, A.; Karishma, P.; Al-Thabaiti, S.*; Gupta, P.*; Maiti, D.* Metal-free Borylation of α-Naphthamides and Phenylacetic Acid Drug. JACS Au 2024, 4(9), 3679-3689. Link (DOI): 10.1021/jacsau.4c00660
49. Kumar, N.; Gupta, P.* DFT Struggles to Predict the Energy Landscape for Iron Pyridine diimine-Catalyzed [2+2]-Cycloaddition of Alkenes: Insights into the Problem and Alternative Solutions. J. Phys. Chem. A 2024, 128(20), 4114-4127. (Front Cover Article). Link (DOI): 10.1021/acs.jpca.3c08325
Download Cover: https://pubs.acs.org/cms/10.1021/jpcafh.2024.128.issue-20/asset/jpcafh.2024.128.issue-20.xlargecover.jpg
48. Rawal, P.; Gupta, P.* Unidentical Twins: Comparing Geometrically Similar but Chemically Distinct Metal-free Sites in Boron Oxide for Methane Oxidation to HCHO, CO and CO2. Chem. Eur. J. 2024, 30(38), e202401050. (Inside Cover Article). Link (DOI): 10.1002/chem.202401050
Download Cover: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/chem.202402229
47. Arora, S.; Gupta, P.* Modelling on a Biomimetic [Cu−O−Cu]2+-mediated Methane-to-Methanol Conversion Unveils the Site for Methane Activation. Chem. Asian J. 2024, 19(14), e202400282. (Front Cover Article). Link (DOI): 10.1002/asia.202400282
Download Cover: https://aces.onlinelibrary.wiley.com/doi/10.1002/asia.202481401
46. Goswami, N.; Kumar, N.; Gupta, P.*; Maiti, D.* Surpassing the Limited Coordination Affinity of Native Amides by Introducing Pyridone-Pd-AgOAc Cluster to Promote Distal γ-C(sp3)-H Arylation. ACS Catal. 2024, 14(6), 3798–3811. Link (DOI): 10.1021/acscatal.3c06007
45. Bhattacharya, T.; Teja, C.; Kumar, N.; Bhagat, K. K.; Lahiri, G. K.*; Gupta, P.*; Tyagi, S.*; Maiti, D.* Harnessing the “Methyl Effect” in the Development of Novel Meta-directing Template for C–H Cyanation. ACS Catal. 2024, 14(4), 2216-2228. Link (DOI): 10.1021/acscatal.3c04953
44. Rawal, P.; Gupta, P.* Mapping the Catalytic-Space for the Reactivity of Metal-free Boron Nitride with O2 for H2O-Mediated Conversion of Methane to HCHO and CO. Chem. Eur. J. 2024, 30(17), e202303371. Link (DOI): 10.1002/chem.202303371
43. Arora, S.; Rawal, P.; Gupta, P.* Orbital Analysis Captures the Existence of a Mixed-Valent CuIII−O−CuII Active-Site and its Role in Water-Assisted Aliphatic Hydroxylation. Chem. Eur. J. 2024, 30(14), e202303722. Link (DOI): 10.1002/chem.202303722
42. Kautu, A.; Sharma, S.; Singh, R.; Negi, S. S.; Singh, N.; Swain, N; Kumar, V.; Kumar, N.; Gupta, P.*; Bhatia, D.*; Joshi, K. B.* Metallopeptide nanoreservoirs for concurrent imaging and detoxification of lead (Pb) from human retinal pigment epithelial (hRPE1) cells. Nanoscale. 2024, 16(31), 14940-14952. Link (DOI): 10.1039/D4NR02236J
41. Sharma, S.; Kautu, A.; Kumar, N.; Swain, N.; Kumar, V.; Singh, R.; Kesharwani, K.; Singh, N.; Gupta, P.; Joshi, K. B.* Self-Assembled Bioinspired Short Metallopeptide Nanostructures for Plausible Biomedical Applications. ChemNanoMat 2024, 10, e202400098. Link (DOI): 10.1002/cnma.202400098
40. Sharma, S.; Kautu, A.; Singh, N.; Kumar, N.; Kumar, V.; Singh, R.; Kesharwani, K.; Swain, N.; Gupta, P.; Joshi, K. B.* Metallopeptide-inspired pyridine-bis-tyrosine peptide conjugate mediated facile room temperature synthesis of ultrafine solid mercury nanoparticles for plausible applications. Next Materials 2024, 4, 100118. Link (DOI): 10.1016/j.nxmate.2024.100118
39. Arora, S.; Gupta, P.* Counter-Anions Rendered Weak-Interactions Perturb the Stability of Tyrosinase-Mimicked Peroxo-Dicopper(II) Active Site: Unraveling Computational Indicators. Chem. Asian J. 2023, 18(20), e202300688. Link (DOI): 10.1002/asia.202300688
38. Rawal, P.; Gupta, P.* Orbitals-driven Insights on the Reactivity of B2O3 with Dioxygen for Methane Oxidation on Singlet and Triplet Spin States. ChemCatChem 2023, 15(13), e202300364. Link (DOI): org/10.1002/cctc.202300364
37. Sharma, A.; Thomas, A.; Gupta, P.* Two Layers of Computational Screening on Silaborane-based Clusters Filter Ca(SiB11H11CH3)2 as the Promising Electrolyte for Calcium-ion Batteries. Batteries & Supercaps 2023, 6(8), e202300073. Link (DOI): 10.1002/batt.202300073
36. Thomas, A.; Khan, T. S.; Gupta, P.* Density Functional Theory based Indicators to Predict Corrosion Inhibition Potential of Ceramic Oxides in Harsh Corrosive Media. Phys. Chem. Chem. Phys. 2023, 25(3), 2537-2545. Link (DOI): 10.1039/D2CP05474D
35. Goswami, N.; Kumar, N.; Bag, S.; Gupta, P.*; Maiti, D.* Deciphering the Mechanistic Insights of Temporary Directing Group Assisted meta-Alkenylation of Complex Biaryl Systems. ACS Catal. 2023, 13(16), 11091-11103. Link (DOI): 10.1021/acscatal.3c02383
34. Chandra, D.; Kumar, N.; Sumit, Gupta, P.*; Sharma, U.* Chemo Selective C-H Alkylation of Isoquinolones with Maleimides: A Combined Experimental and Computational Case Study. Mol. Catal. 2023, 551, 113597. Link (DOI):10.1016/j.mcat.2023.113597
33. Gupta, S. S.; Gupta, S.; Manisha.; Gupta, P.*; Sharma, U.* Experimental and Computational Studies on RuII-Catalyzed C7-Allylation of Indolines with Allyl Bromide. Chem. Eur. J. 2023, 29(50), e202301360. Link (DOI): 10.1002/chem.202301360
32. Binnani, C.; Arora, S.; Priya, B.; Gupta, P.*; Singh, S. K.* 2-Hydroxypyridine-based Ligands as Promoter in Ruthenium(II) Catalyzed C-H Bond Activation/Arylation Reactions. Chem. Asian J. 2023, 18(22), e202300569. Link (DOI): 10.1002/asia.202300569
31. Gupta P.*, Mukherjee R. N.*, 2023, Book: “Copper Bioinorganic Chemistry from Health to Bioinspired Catalysis, Chapter: Modelling Tyrosinase Activity Using m-Xylyl-Based Ligands: Ring Hydroxylation, Reactivity, and Theoretical Investigation”, World Scientific Publishing Company, 81, 112. Link (DOI): https://doi.org/10.1142/9789811269493_0003
30. Singh, O.; Singh, A.; Maji, A.; Chauhan, R.; Gupta, P.; Ghosh, K.* Crystal structure of phenoxyl radical complex relevant to metal-site of galactose oxidase enzyme: A facile one-pot synthesis, evidence for hydrogen atom transfer and DNA cleavage via self-activation. Dalton Trans. 2024, 53, 986-995. Link (DOI): 10.1039/D3DT03282E
29. Maurya, M. R.*; Singh, D.; Bisth, R.; Avecilla, F.; Sharma, A.; Gupta, P. Catalytic Potential of Pyrazolone Based Dioxidomolybdenum(VI) Complexes for Multicomponent Biginelli reaction, Epoxidation of Olefins and Oxidative Bromination of Phenol Derivatives. Eur. J. Inorg. Chem. 2023, 26(28), e202300302. Link (DOI): 10.1002/ejic.202300302
28. Maurya, M. R.*; Singh, D.; Bisth, R.; Avecilla, F.; Sharma, A.; Gupta, P. Trinuclear dioxidomolybdenum(VI) complexes derived from benzene-1,3,5-tricarbohydrazide and study of the catalytic activity. New J. Chem. 2023, 47(13), 6114–6134. Link (DOI): 10.1039/d2nj05936c
27. Kesharwani, K.; Singh, R.; Kumar, N.; Singh, N.; Gupta, P.*, Joshi, K. B.* Mercury instructed assembly (MiA): Architecting of a clathrin triskelion inspired highly functional C3-symmetric triskelion nanotorus functional structures into microtorus structures. Nanoscale 2022, 14(28), 10200-10210. Link (DOI): 10.1039/D2NR01524B
24. Bhattacharjee, J.; Rawal, P.; Das, S.; Harinath, A.; Gupta, P.*; Panda, T. K.* Highly Efficient Ti-catalyst for Deoxygenative Reduction of Esters at Ambient Conditions: Experimental and Mechanistic Insights from DFT Study. Dalton Trans. 2022, 51(15), 5859-5867. Link (DOI):10.1039/D2DT00076H
23. Maurya, M. R.*; Maurya, S. K.; Kumar, N.; Avecilla, F.; Gupta, P. Substituent Controlled Synthesis of Dioxidomolybdenum(VI) Complexes of N,N,N’,N’-Tetrakis(2-Hydroxyl-3,5-Disubstitutedbenzyl)-1,2-Diaminoethane, Their Trans-Metalation to Oxidovanadium(V) Complexes and Biocatalytic Applications. Eur. J. Inorg. Chem. 2022, 2022(23), e202200266. (Cover Article). Link (DOI):10.1002/ejic.202200266
22. Maurya, M. R.*; Singh, D.; Tomar, R.; Gupta, P. Trinuclear cis–[MoVIO2] complexes catalyzed efficient synthesis of 3, 4-dihydropyrimidin-2 (1H)-one based biomolecules via one-pot-three-components Biginelli reaction under solvent-free condition. Inorganica Chimica Acta. 2022, 532, 120750. Link (DOI):10.1016/j.ica.2021.120750.
21. Kumar, R.; Rawal, P.; Banerjee, I.; Nayek, H. P.; Gupta, P.*; Panda, T. K.* Catalytic Hydroboration and Reductive Amination of Carbonyl Compounds by HBpin using a Zinc Promoter. Chem. Asian J. 2022, 17(5), e202200013. Link (DOI):10.1002/asia.202200013
20. Mahato, S.; Rawal, P.; Devadkar, A. K.; Joshi, M.; Biswas, B.*; Gupta, P.*; Panda, T. K.* Hydroboration and Reductive Amination of Ketones and Aldehydes with Hbpin by a Bench Stable Pd(II)-catalyst. Org. Biomol. Chem. 2022, 20(5), 1103-1111. Link (DOI):10.1039/d1ob02339j
19. Narvariya, R.; Gupta, S.; Jain, A.; Rawal, P.; Gupta, P.*; Panda, T. K.* One‐Pot Reductive Amination of Aromatic Aldehydes in [Et3NH][HSO4] using Sodium Borohydride and A Mechanistic Investigation using Computational Method. ChemistrySelect 2022, 7(4), e202200052. Link (DOI):10.1002/slct.202200052
18. Maurya, M. R.*; Maurya, S. K.; Kumar, N.; Gupta, P. Biomimetic Oxidative Bromination by cis‐Dioxidotungsten (VI) Complexes of Salan Type N, N’‐Capped Linear Tetradentate Amino Bisphenol. Eur. J. Inorg. Chem. 2021, 2021(27), 2724-2738. Link (DOI):10.1002/ejic.202100357
17. Chandra, D.; Kumar, N.; Parmar, D.; Gupta, P.*; Sharma, U.* Co(III)-Catalysed Regioselective Linear C(8)–H Olefination of Isoquinolone with Terminal Aromatic and Aliphatic Alkynes. Chem. Commun. 2021, 57(88), 11613-11616. (Front Cover Article). Link (DOI):10.1039/ d1cc04541e
16. Balyan, S.; Saini, S.; Khan, T. S.; Pant, K. K.; Gupta, P.*; Bhattacharya, S.*; Haider, M. A.* Unravelling the reactivity of metastable molybdenum carbide nanoclusters in the C–H bond activation of methane, ethane and ethylene. Nanoscale 2021, 13(8), 4451-4466. (Cover Article). Link (DOI):10.1039/d0nr07044k
15. Das, S.; Rawal, P.; Bhattacharjee, J.; Devadkar, A.; Pal, K.; Gupta, P.*; Panda, T. K.* Indium Promoted C(sp3)–P Bond Formation by the Domino A3-Coupling Method – a Combined Experimental and Computational Study. Inorg. Chem. Front. 2021, 8(5), 1142-1153. (Cover Article). Link (DOI):10.1039/d0qi01210f
14. Maurya, M. R.*; Tomar, R.; Gupta, P.; Avecilla, F. Trinuclear cis-dioxidomolybdenum(VI) complexes of compartmental C3 symmetric ligands: Synthesis, characterization, DFT study and catalytic application for hydropyridines (Hps) via the Hantzsch reaction. Polyhedron 2020, 186, 114617. Link (DOI):10.1016/j.poly.2020.114617
13. Singh, R.; Mishra, N. K.; Gupta, P.; Joshi, K. B.* Self-assembly of a sequence-shuffled short peptide amphiphile triggered by metal ions into terraced nanodome-like structures. Chem. Asian J. 2020, 15(4), 531-539. Link (DOI):10.1002/asia.201901715
12. Saha, A.; Rajput, A.; Gupta, P.; Mukherjee, R.* Probing the electronic structure of [Ru(L1)2]Z (z = 0, 1+ and 2+) (H2L1: a tridentate 2-aminophenol derivative) complexes in three ligand redox levels. Dalton Trans. 2020, 49(43), 15355-15375. Link (DOI):10.1039/d0dt03074k
11. Singh, R.; Mishra, N. K.; Singh, N.; Rawal, P.; Gupta, P.; Joshi, K. B.* Transition metal ions induced secondary structural transformation in a hydrophobized short peptide amphiphile” New. J. Chem. 2020, 44(22), 9255-9263. Link (DOI):10.1039/d0nj01501f
10. Chan, S.-C; Ang, Z. Z.; Gupta, P.; Ganguly, R.; Li, Y.; Ye, S.; and England, J. Carbodicarbene ligand redox noninnocence in highly oxidized chromium and cobalt complexes. Inorg. Chem. 2020, 59(6), 4118-4128. Link (DOI):10.1021/acs.inorgchem.0c00153
09. Balyan, S., Gupta, P., Khan, T. S., Pant, K. K., and Haider, M. A., “Active sites in Mo/HZSM-5 catalysts for nonoxidative methane dehydroaromatization. In J. Hu & D. Shekhawat (Eds.), 2020, Direct Natural Gas Conversion to Value-Added Chemicals (Ist ed., pp. 255-274). Boca Raton, USA: CRC Press, Taylor & Francis Group.” Link (DOI): 10.1201/9780429022852
08. Chan, S.-C.; Gupta, P.; Engelmann, X.; Ang, Z. Z.; Ganguly, R.; Bill, E.; Ray, K.; Ye, S.; and England, J. Observation of carbodicarbene ligand redox noninnocence in highly oxidized iron complexes. Angew. Chem. Int. Ed. 2018, 57(48), 15717-15722. Link (DOI):10.1002/anie.201809158
07. Guthertz, A.; Leutzsch, M.; Wolf, L. M.; Gupta, P.; Rummelt, S. M.’ Goddard, R.’ Farès, C.; Thiel, W.; and Fürstner, A. Half-Sandwich ruthenium carbene complexes link trans-Hydrogenation and gem-Hydrogenation of internal alkynes. J. Am. Chem. Soc. 2018, 140(8), 3156-3169. Link (DOI):10.1021/jacs.8b00665
06. Rummelt, S. M.; Cheng, G. J.; Gupta, P.; Thiel, W.; Fürstner, A. Hydroxy‐Directed Ruthenium‐Catalyzed Alkene/Alkyne Coupling: Increased Scope, Stereochemical Implications, and Mechanistic Rationale. Angew. Chem. Int. Ed. 2017, 56(13), 3599-3604. Link (DOI): 10.1002/anie.201700342
05. Gupta, P.; Diefenbach, M.; Holthausen, M. C.; and Förster, M. Copper-mediated selective hydroxylation of a non-activated C−H bond in steroids: A DFT study of Schönecker's reaction. Chem. Eur. J. 2017, 23(6), 1427-1435., DOI: 10.1002/chem.201604829. (HOT Article). Link (DOI):10.1002/chem.201604829
04. Becker, J.; Gupta, P.; Angersbach, F.; Tuczek, F.; Näther, C.; Holthausen, M. C.; Schindler, S. Selective aromatic hydroxylation with dioxygen and simple copper imine complexes. Chem. Eur. J. 2015, 21(33), 11735-11744. DOI: 10.1002/chem.201501003. (Cover and HOT Article). Link (DOI):10.1002/chem.201501003
03. Leutzsch, M.; Wolf, L.M.; Gupta, P.; Fuchs, M.; Thiel, W.; Farès, C.; Fürstner, A. Formation of ruthenium carbenes by gem‐hydrogen transfer to internal alkynes: Implications for alkyne trans‐hydrogenation. Angew. Chem. Int. Ed. 2015, 54(42), 12180-12180. DOI: 10.1002/anie.201508274. (Cover and VIP Article). Link (DOI):10.1002/anie.201506075
02. Breunig, J. M.; Gupta, P.; Das, A.; Tussupbayev, S.; Diefenbach, M.; Bolte, M.; Wagner, M.; Holthausen, M. C.; and Lerner, H.-W. Efficient access to substituted silafluorenes by nickel-catalyzed reactions of biphenylenes with Et2SiH2. Chem. Asian J. 2014, 9(11), 3163-3173. Link (DOI):10.1002/asia.201402599
01. Nozinovic, S.; Gupta, P.; Fürtig, B.; Richter, C.; Tüllmann, S.; Duchardt-Ferner, E.; Holthausen, M. C.; and Schwalbe, H. Determination of the conformation of the 2’OH Group in RNA by NMR spectroscopy and DFT calculations. Angew. Chem. Int. Ed. 2011, 50(23), 5397-5400. Link (DOI):10.1002/anie.201007844
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