93. N. Khilari, T. Pooventhiran, D. Koley*, “Computational Assessment of the Mechanistic Journey in Chan-Lam based Arylation of Imidazoles” Inorg. Chem. 2024, 63, 11531-11541.

92. V. S. Ajithkumar,† N. Khilari,† P. B. Ghanwat, G. Venugopal, D. Koley*, S. S. Sen*, “Activation of carbon disulfide by a hypersilyl germylene” Dalton. Trans. 2024, DOI: 10.1039/D4DT01573H [Communication; selected for back cover page].

91. M. Adhikari,† S De,† K. K. Manar, S. K. Thakur, R. S. Kamte, D. Koley*, S. Singh*, “Diborane, Diborene and M(I)-η2-Diborene Complexes Stabilized by Bicyclic (Alkyl)(Amino)Carbene (M = Cu and Ag)” Eur. J. Inorg. Chem. 2024, in press

90. D. Sarkar, S. Dutta, F. Hanusch, D. Koley*, S. Inoue, “Synthesis and reactivity of N-heterocyclic carbene (NHC)-supported heavier nitrile ylides” Chem. Sci. 2024, 15, 2391-2397.

89. T. Pooventhiran, N. Khilari, D. Koley*, “Mechanistic Avenues in the Chan-Lam-Based Etherification Reaction: A Computational Exploration”, Chem. Eur. J. 2023, e202302983. (Hot Paper), (Selected for Cover profile and Front Cover Page).

88. D. Lichte, N. Pirkl, G. Heinrich, S. Dutta, J. F. Goebel, D. Koley,* Lukas J. Gooßen*, “Palladium-Catalyzed para-C-H Arylation of Anilines with Aromatic Halides” Angew. Chem. Int. Ed. 2022, 61, e202210009. (Very Important Paper)

87. R. Kumar, S. Dutta, V. Sharma, P. P. Singh, R. G. Gonnade, D. Koley,* Sakya S Sen*, “Monomeric Magnesium Catalyzed Alkene and Alkyne Hydroboration”, Chem. Eur. J. 2022, 28, e202201896. (Hot Paper, Selected for backside Cover page)

86. S. De, S. Dutta, D. Koley*, “Theoretical Insights into Aluminium-Catalyzed Cyanosilylation of Aldehydes and Ketones”, Organometallics, 2022, 41, 2132-2145.

85. B. Yan,† S. Dutta,† X. Ma,* C. Ni, D. Koley,* Z. Yang,* H. W. Roesky*, “Organoaluminum
Hydrides Catalyzed Hydroboration of Carbonates, Esters, Carboxylic Acids, and Carbon Dioxide”, Dalton Trans. 2022, 51, 6756-6765.

84. S. Bose, S. Dutta, D. Koley*, “Entering Chemical Space with Theoretical Underpinning of the Mechanistic Pathways in the Chan-Lam Amination”, ACS. Catal. 2022, 12, 1461-1474.

83. S. Dutta, K. Singh, D. Koley*, “Computational Exploration of Mechanistic Avenues in Metal-Free CO 2 Reduction to CO by Disilyne Bisphosphine Adduct and Phosphonium Silaylide”, Chem. Asian. J. 2021, 16, 3492-3508. [Special Collection: VIP article]

82. D. Koley,* S. De, N. Sivendran, Lukas J. Gooßen*, “Isomerization of Functionalized Olefins by Using the Dinuclear Catalyst [Pd I (µ-Br)(P t Bu 3 )] 2 : A Mechanistic Study”, Chem. Eur. J. 2021, 27, 15227-15239. [Special Collection]

81. D. Sarkar, S. Dutta, C. Weetman, E. Schubert, D. Koley,* S. Inoue*, “Germyliumylidene: A
Versatile Low Valent Group 14 Catalyst”, Chem. Eur. J. 2021, 27, 13072-13078. [Selected as “HotTopic: Carbon Dioxide”, ChemSusChem: https://chemistry- 
europe.onlinelibrary.wiley.com/doi/toc/10.1002/(ISSN)1864-564X.hottopic-co2]

80. J. Liu,† K. Singh,† S. Dutta, Z. Feng, D. Koley,* G. Tan,* X. Wang, “Yttrium Germole Dianion Complexes with Y-Ge Bonds” Dalton Trans. 2021, 50, 5552-5556.

79. S. Banerjee,† C. A. Kumar,† S. Bose,† S. K. Sarkar, S. K. Gupta, N. Graw, C. Köhler, R. Herbst- Irmer, D. Stalke,* S. Dutta, D. Koley,* H. W. Roesky,* “Preparation and Reactivity Studies of Four and Five coordinated Amidinate Aluminium Compounds”, Z. Anorg. Allg. Chem. 2021, 647, 1-10.

78. K. Zhu,† S. Dutta,† W. Han, C. Wang, J. Lee, G. Tan, D. Koley,* C-W. So,* Y. Li, * “Si(II)
Cation-Promoted Formation of an Abnormal NHC-bound Silylene and a cAAC-Silanyl Radical Ion”, Inorg. Chem. 2021, 60, 7143-7149.

77. S. De, E. Mahal, Md A. Haque, C. K. Jana,* D. Koley,* “Computational Investigation of
Multifaceted Cationic Rearrangement and Stereo- and Regioselectivity in the Formation of
Dysideanone’s Analogues”, J. Org. Chem. 2021, 86, 1133-1140.

76. S. Banerjee, S. Dutta, S. Sarkar, N. Graw, R. Herbst-Irmer, D. Koley,* D. Stalke,* H. W.
Roesky,* “Amidinate based indium(III) monohalides and β-diketiminate stabilized In(II)-In(II) bond: Synthesis, crystal structure and DFT study”, Dalton. Trans. 2020, 49, 14231-14236.

75. D. Sarkar, C. Weetman, S. Dutta, E. Schubert, C. Jandl, D. Koley,* S. Inoue,* “NHC-Stabilized Germaacylium ion: Reactivity and Utility in Catalytic CO 2 Functionalizations”, J. Am. Chem. Soc. 2020, 142, 15403-15411.

74. M. M. Siddiqui, S. Banerjee, S. Bose, S. K. Sarkar, S. K. Gupta, J. Kretsch, N. Graw, R. Herbst- Irmer, D. Stalke,* S. Dutta, D. Koley,* H. W. Roesky,* “Cyclic (Alkyl) (Amino)Carbene Stabilized Aluminium and Gallium Radical Compounds based on Amidinate Scaffolds”, Inorg. Chem. 2020, 59, 11253-11258.

73. S. De,† N. Sivendran,† B. Maity, N. Pirkl, D. Koley,* L. J. Goossen,* “Dinuclear PdI Catalysts in Equilibrium Isomerizations: Mechanistic Understanding, in Silico Casting, and Catalyst Development”, ACS Catal. 2020, 10, 4517-4533. (Manuscript dedicated in memory of Professor Walter Thiel)

72. S. Dutta*, S. De, S. Bose, E. Mahal, D. Koley*, “Cooperative Donor-Acceptor Interactions in Stabilizing Carbene-Borane and Carbene-Alane Compounds: A Theoretical Insight”, Eur. J. Inorg. Chem. 2020, 638-655. (Manuscript dedicated in memory of Professor Walter Thiel)

71. G. Kundu,† S. De,† S. Tothadi, A. Das, D. Koley*, S. S. Sen*, “Saturated N-Heterocyclic
Carbene based Thiele’s Hydrocarbon with a Tetrafluorophenylene Linker”, Chem. Eur. J. 2019, 25, 16533-16537 (Hot paper)

70. M. M. Guru,† S. De,† S. Dutta, D. Koley*, B. Maji*, “B(C 6 F 5 ) 3 -Catalyzed Dehydrogenative Cyclization of N-Tosylhydrazones and Anilines via a Lewis Adduct: A Combined Experimental and Computational Investigation”, Chem. Sci. 2019, 10, 7964-7974 (Selected for Synform)

69. W. Li, S. Kundu, C. Kohler, J. Li, S. Dutta, Z. Yang*, D. Stalke*, R. Herbst-Irmer, A. C. Stuckl, B. Schwederski, D. Koley*, W. Kaim*, H. W. Roesky*, “Cyclic Alkyl(amino) Carbene Stabilized Monoradicals of Organosilicon(IV) Compounds with Small Substituents”, Organometallics 2019, 38, 1939-1945.

68. J. Li, M. Zhong, H. Keil, H. Zhu,* R. Herbst-Irmer, D. Stalke,* S. De, D. Koley,* H. W. Roesky, “(PhC(N t Bu) 2 Al) 2 (SiH 2 ) 4 Six-Membered Heterocycle: Comparable in Structure to Cyclohexane”, Chem. Commun. 2019, 55, 2360-2363. (Highlighted in Chemistry World)

67. S. Dutta, T. Mondal, S. De, K. Rudra, D. Koley,* “Strengths of Different Lewis Bases in
Stabilizing Titanium Fluorides: A Theoretical Insight” Inorg. Chim. Acta, 2019, 485, 162-172.
(Invited Article)

66. T. Mondal, S. Dutta, S. De, D. Thirumalai, D. Koley,* “Donor Stabilized Diatomic Gr. 14 E 2 (E = C-Pb) Molecule D-E 2 -D (D = NHC, aNHC, N NHC, NHSi, cAAC, cAASi, cAAGe): A Theoretical Insight”, J. Phys. Chem. A, 2019, 123, 565-581.

65. T. Mondal, S. Dutta, S. De, D. Koley,* “Computational Exploration of Mechanistic Avenues in C- H Activation Assisted Pd-Catalyzed Carbonylative Coupling” J. Org. Chem. 2019, 84, 257-272.

64. K. Bakthhavachalam, S. Dutta, C. Arivazhagan, B. Raghavendra, A. Haridas, S. S. Sen,* D.
Koley,* S. Ghosh,* “Cyclometallation of a germylene ligand by concerted metalation-deprotonation of a methyl group”, Dalton Trans. 2018, 47, 15835-15844.

63. M. M. Siddiqui, S. Sinhababu, S. Dutta, S. Kundu, P. N. Ruth, A. Münch, R. Herbst-Irmer, D.
Stalke,* D. Koley,* H. W. Roesky,* “Silanylidene and Germanylidene Anions: Valence-Isoelectronic Species to the Well-Studied Phosphinidene”, Angew. Chem. Int. Ed. 2018, 57, 11776-11780.

62. S. Dutta, B. Maity, D. Thirumalai, D. Koley,* “Computational Investigation of Carbene-
Phosphinidenes: Correlation between 31 P Chemical Shifts and Bonding Features to Estimate the π- Backdonation of Carbenes”, Inorg. Chem. 2018, 57, 3393-4008.

61. T. Mondal, S. De, S. Dutta, D. Koley,* “Mechanistic Exploration of the Transmetalation and
Reductive Elimination Events from Pd IV -abnormal NHC Complexes in Suzuki-Miyaura Coupling: A DFT Study”, Chem. Eur. J. 2018, 24, 6155-6168.

60. S. Kundu, S. Sinhababu, A. V. Luebben, T. Mondal, D. Koley,* B. Dittrich,* H. W. Roesky,*
“Reagent for Introducing Base-stabilized Phosphorus Atoms into Organic and Inorganic
Compounds”, J. Am. Chem. Soc. 2018, 140, 151-154.

59. B. Maity, D. Koley,* “Solvent Promoted Regio- and Stereoselectivity in Ru-catalyzed
Hydrocarboxylation of Terminal Alkynes: A DFT Study”, ChemCatChem. 2018, 10, 566-580.

58. S. Kundu, S. Sinhababu, S. Dutta, T. Mondal, D. Koley,* B. Dittrich,* B. Schwederski, W.
Kaim,* A. C. Stückl, H. W. Roesky,* “Synthesis and Characterization of Lewis Base Stabilized
Mono- and Di-Organo Aluminium Radicals”, Chem. Commun. 2017, 53, 10516-10519.

57. S. Roy, K. C. Mondal,* S. Kundu, B. Li, C. J. Schürmann, S. Dutta, D. Koley,* R. Herbst-Irmer, D. Stalke,* H. W. Roesky,* “Two Structurally Characterized Conformational Isomers with Different C-P Bonds”, Chem. Eur. J. 2017, 23, 12153-12157.

56. T. Mondal, S. De, D. Koley,* “DFT Study on C-F Bond Activation by Group 14 Dialkylamino
Metalylenes: A Competition between Oxidative Addition vs. Substitution Reactions”, Inorg. Chem. 2017, 56, 10633-10643.

55. Y. Li, R. Siwatch, T. Mondal, Y. Li, R. Ganguly, D. Koley,* C-W. So,* “Diverse Bonding
Activations in the Reactivity of a Pentaphenylborole toward Sodium Phosphaethynolate: Heterocycle Synthesis and Mechanistic Studies”, Inorg. Chem. 2017, 56, 4112-4120.

54. S. K. Barman, T. Mondal, D. Koley, F. Lloret, R. N. Mukherjee,* “A phenoxo-bridged
dicopper(II) complex as a model for phosphatase activity: mechanistic insights from a combined experimental and computational study”, Dalton Trans. 2017, 46, 4038-4054.

53. B. Maity, D. Koley,* “Computational Investigation on the Role of Disilene Substituents Toward N 2 O Activation”, J. Phys. Chem. A 2017, 121, 401-417.

52. S. Kundu, C. Mohapatra, P. P. Samuel, J. Kretsch, M. G. Walawalkar, R. Herbst-Irmer, D. Stalke,*S. De, D. Koley,* H. W. Roesky,* “A Unprecedented 1,4-diphospha-2,3-disila butadiene (-P=Si-Si=P-) derivative and a 1,3-diphospha-2-silaallyl Anion, each stabilized by the amidinate Ligand”,Chem. Commum. 2017, 53, 192-195. (Highlighted in Atlas of Science July 23, 2018)

51. T. Mondal, S. De, B. Maity, D. Koley,* “Exploring the Oxidative Addition Pathways of Phenyl Chloride in the Presence of Pd II Abnormal N-heterocyclic Carbene Complexes: A DFT study”, Chem. Eur. J. 2016, 22, 15778-15790.

50. J. Li, B. Li, R. Liu, L. Jiang, H. Zhu,* H. W. Roesky,* S. Datta, D. Koley,* W. Liu Q. Ye, “A
Germylene/Borane Lewis Pair and the Remarkable C=O Bond Cleavage Reaction toward Isocyanate and Ketone Molecules”, Chem. Eur. J. 2016, 22, 14499-14503.

49. S. Roy, C. J. Schürmann, T. Mondal, D. Koley,* R. Herbst-Irmer, D. Stalke,* H. W. Roesky,*
“Activation of Elemental Sulfur at a Two-Coordinate Platinum(0) Center”, Chem. Eur. J. 2016, 22,12629-12633. (Very Important Paper: Highlighted as Frontispiece; Selected as Back Cover).

48. Z. Yang,* Y. Yi, S. De, T. Mondal, D. Koley,* X. Ma, M. Zhong, D. Zhang, H. W. Roesky,*
“Addition Reaction of Me 3 SiCN with Aldehydes Catalyzed by Aluminium Complexes Containing in their Coordination Sphere O, S, and N Ligands”, Chem. Eur. J. 2016, 22, 6932-6938.

47. C. Mohapatra, P. P. Samuel, B. Li, B. Niepötter, C. J. Schürmann, R. Herbst-Irmer, D. Stalke,* B.Maity, D. Koley,* H. W. Roesky,* “Insertion of Cyclic Alkyl(Amino) Carbene into the Si-H Bonds of Hydrochlorosilanes”, Inorg. Chem. 2016, 55, 1953-1955.

46. K. C. Mondal, S. Roy, B. Maity, D. Koley,* H. W. Roesky,* “Estimation of σ-Donation and π-
Backdonation of Cyclic Alkyl(amino) Carbene-Containing Compounds”, Inorg. Chem. 2016, 55, 163-169.

45. S. Roy, K. C. Mondal,* T. Mondal, D. Koley,* B. Dittrich, H. W. Roesky,* “Monomeric
siliconthiodichloride trapped by a Lewis Base”, Dalton Trans. 2015, 44, 19942-19947.

44. S. Haldar, S. K. Roy, B. Maity, D. Koley,* C. K. Jana,* “Regio- and Diastereo-selective and
Enantiospecific Metal-Free C(sp 3 )-H Arylation: Facile Access to Optically Active 5-Aryl 2,5-
Disubstituted Pyrrolidines”, Chem. Eur. J. 2015, 21, 15290-15298. (Highlighted in Organic
Chemistry Portal)

43. C. Mohapatra, K. C. Mondal, P. P. Samuel, H. Keil, B. Niepötter, R. Herbst-Irmer, D. Stalke,* S.Dutta, D. Koley,* H. W. Roesky,* “A Stable Dimer of SiS 2 Arranged between Two Carbene Molecules”, Chem. Eur. J. 2015, 21, 12572-12576. (Highlighted as Frontispiece)

42. K. C. Mondal, S. Roy, B. Dittrich,* B. Maity, S. Dutta, D. Koley,* S. K. Vasa, R. Linser, S.
Dechert, H. W. Roesky,* “A soluble molecular variant of the semiconducting silicondiselenide”,Chem. Sci. 2015, 6, 5230-5234.

41. S. Roy, B. Dittrich, T. Mondal, D. Koley,* A. C. Stück, B. Schwederski, W. Kaim,* M. John, S.
K. Vasa, R. Linser, H. W. Roesky,* “Carbene Supported Dimer of Heavier Ketenimine Analogue with P and Si Atoms”, J. Am. Chem. Soc. 2015, 137, 6180-6183.

40. S. Roy, A. C. Stück, S. Demeshko, B. Dittrich, J. Meyer, B. Maity, D. Koley,* B. Schwederski,
W. Kaim,* H. W. Roesky,* “Stable Radicals from Commonly Used Precursors Trichlorosilane and Diphenylchlorophosphine”, J. Am. Chem. Soc. 2015, 137, 4670-4673.

39. B. Maity, L. J. Gooßen,* D. Koley,* “Computational study of the mechanism and selectivity of ruthenium-catalyzed hydroamidations of terminal alkynes”, Chem. Sci. 2015, 6, 2532-2552.

38. B. Maity, T. Mondal, K. De, S. Biswas, D. Koley,* “The Role of Ligands in Controlling the
Regioselectivity in Ruthenium-Catalyzed Addition of Carboxylic Acids to Terminal Alkynes: A DFT study”, J. Chem. Sci. 2015, 127, 281-293. (Invited Article)

37. S. Roy, K. C. Mondal, L. Krause, P. Stollberg, R. Herbst-Irmer, D. Stalke,* J. Meyer, A. C. Stück, B. Maity, D. Koley,* S. K. Vasa, S. Q. Xiang, R. Linser, H. W. Roesky,* “Electron-Induced
Conversion of Silylones to Six-Membered Cyclic Silylenes”, J. Am. Chem. Soc. 2014, 136, 16776-16779. (Selected for JACS Spotlight Communication)

36. K. C. Mondal, B. Dittrich,* B. Maity, D. Koley,* H. W. Roesky,* “Cyclic Alkyl(amino) Carbene Stabilized Biradical of Disilicontetrachloride”, J. Am. Chem. Soc. 2014, 136, 9568-9571 (Selected for JACS Spotlight Communication)

35. Y. Li, K. C. Mondal, P. P. Samuel, H. Zhu,* C. M. Orben, S. Panneerselvam, B. Dittrich,* B.
Schwederski, W. Kaim,* T. Mondal, D. Koley,* H. W. Roesky,* “C 4 Cumulene and the
Corresponding Air-Stable Radical Cation and Dication**”, Angew. Chem. Int. Ed. 2014, 53, 4168-4172.

34. B. Maity, D. Koley,* “Mechanistic investigation of the reactivity of disilene with nitrous oxide: A DFT Study”, J. Mol. Graph. Model. 2014, 51, 50-63.

33. K. C. Mondal, P. P. Samuel, H. W. Roesky,* B. Niepötter, R. Herbst-Irmer, D. Stalke,* F. Ehret, W. Kaim, B. Maity, D. Koley,* “Synthesis and Characterization of a Triphenyl-Substituted Radical and an Unprecedented Formation of a Carbene-Functionalized Quinodimethane”, Chem. Eur. J. 2014, 20, 1-7.

32. A. Rajput, A. K. Sharma, S. K. Barman, D. Koley, M. Steinert, R. N. Mukherjee,* “Neutral,
Cationic, and Anionic Low-Spin Iron(III) Complexes Stabilized by Amidophenolate and
Iminobenzosemiquinonate Radical in N,N,O Ligands”, Inorg. Chem. 2014, 53, 36-48.

31. G. B. Nikiforov,* H. W. Roesky, D. Koley, “Survey of titanium fluorides, their preparation,
reactivity and applications”, Coord. Chem. Rev. 2013, 258-259, 16-57.

30. K. C. Mondal, H. W. Roesky,* A. C. Stückl, F. Ehret, W. Kaim,* B. Dittrich,* B. Maity, D.
Koley,* “Formation of Trichlorosilyl-Substituted Carbon-Centered Stable Radicals through the Use of π-Accepting Carbenes**”, Angew. Chem. Int. Ed. 2013, 52, 11804-11807.

29. T. K. Sen, S. C. Sau, A. Mukherjee, P. K. Hota, S. K. Mandal,* B. Maity, D. Koley, “Abnormal N- heterocyclic carbene main group organometallic chemistry: a debut to the homogeneous catalysis†”, Dalton Trans. 2013, 42, 14253-14260.

28. A. Das, B. Maity, D. Koley,* S. Ghosh,* “A slothful gelation of a dipolar building block by "top-down" morphology transition from microparticle to nanofibre”, Chem. Commun. 2013, 49, 5757-5759.

27. P. Prasad, I. Khan, P. K. Sasmal, D. Koley, P. Kondaiah, A. R. Chakravarty,* “Planar triazinium cations from vanadyl-mediated ring cyclizations: The thiazole species for efficient nuclear staining and photocytotoxicity†”, Dalton Trans. 2013, 42, 4436-4449.

26. T. K. Sen, A. Mukherjee, A. Modak, S. K. Mandal,* D. Koley, “Substitution effect on phenalenyl backbone in the rate of organozinc catalyzed ROP of cyclic esters†”, Dalton Trans. 2013, 42, 1893-1904.

25. A. Mukherjee, T. K. Sen, S. K. Mandal,* B. Maity, D. Koley, “Construction of oxygen-bridged multimetallic assembly: dual catalysts for hydroamidation reactions”, RSC Adv. 2013, 3, 1255-1264.

24. B. Banik, K. Soumyajit, D. Koley, G. Nagaraju A. R. Chakravarty,* "Cellular uptake and remarkable photocytotoxicity of pyrenylterpyridine oxovanadium(IV) complexes of dipyridophenanize bases", Inorg. Chim. Acta. 2012, 393, 284-293.

23. U. Basu, I. Khan, D. Koley, S. Saha, P. Kondaiah, A. R. Chakravarty,* “Nuclear Targeting
Terpyridine Iron(II) complexes for Cellular Imaging and Remarkable Photocytotoxicity”, J Inorg Biochem 2012, 116, 77-87.

22. A. Das, M. R. Molla, B. Maity, D. Koley,* S. Ghosh,* “Hydrogen-bonding induced alternate-
stacking of donor (D) and acceptor (A) chromophores and their supramolecular-switching to
segregated states”, Chem. Eur. J. 2012, 18, 9849-9859. (Selected for the Inside cover of the
journal: http://onlinelibrary.wiley.com/doi/10.1002/chem.201290137/abstract)

21. D. Koley,* E. Arunan, S. Ramakrishnan, Computational investigations on covalent
dimerization/oligomerization of polyacenes: Is it relevant to soot formation?, J. Comput. Chem. 2012, 33, 1762-1772.

20. S. C. Sau, S. Santra, T. K. Sen, S. K. Mandal,* D. Koley, “Abnormal N-heterocyclic carbene
palladium complex: living catalyst for activation of aryl chlorides in Suzuki-Miyaura cross coupling”, Chem. Commun. 2012, 48, 555-557. (Most read/downloaded article in Nov. 2011)

19. T. K. Sen, S. C. Sau. A. Mukherjee, A. Modak, S. K. Mandal,* D. Koley, “Introduction of
abnormal N-heterocyclic carbene as an efficient organocatalyst: ring opening polymerization of cyclic esters†”, Chem. Commun. 2011, 47, 11972 – 11974.

18. S Khan, R. Michel, D. Koley, H. W. Roesky,* D. Stalke,* “Reactivity Studies of a Disilene with N 2 O and Elemental Sulfur”, Inorg. Chem. 2011, 50, 10878 – 10883.

17. A. Jana, R. Azhakar, S. P. Sarish, P. P. Samuel, H. W. Roesky,* C. Schulzke, D. Koley, “Reactions of Stable Amidinate Chlorosilylene and [1+4]-Oxidative Addition of N-Hetrocyclic Silylene with N- Benzylideneaniline”, Eur. J. Inorg. Chem. 2011, 32, 5006 – 5013.

16. R. Azhakar, S. P. Sarish, G. Tavčar, H. W. Roesky,* J. Hey, D. Stalke,* D. Koley, “Formation of Silicon Centered Spirocyclic Compounds: Reaction of N-Heterocyclic Stable Silylene with Benzoylpyridine, Diisopropyl Azocarboxylate, and 1,2-Diphenylhydrazine”, Inorg. Chem. 2011, 50, 3028 – 3036.

15. P. Prasad, I. Khan, P. K. Sasmal, D. Koley, P. Kondaiah, A. R. Chakravarty,* “Planar triazinium cations from VO 2+ -assisted ring cyclizations: A remarkably efficient thiazole species for nuclear staining, PDT and anaerobic photocleavage of DNA”, Chem. Commun. 2011, 47, 3954 – 3956.

14. S. De, D. Koley, S. Ramakrishnan,* “Folding a polymer via two-point interaction with an
external folding agent: Use of H-bonding and charge-transfer interactions”, Macromolecules 2010, 43, 3183 – 3192.

13. S. N. Nagendran, S. S. Sen, H. W. Roesky,* D. Koley, H. Grubmüller, A. Pal, R. Herbst-Irmer, “RGe(I)Ge(I)R Compound (R = PhC(NtBu) 2 ) with a Ge-Ge Single Bond and a Comparison with the Gauche Conformation of Hydrazine”, Organometallics 2008, 27, 5459-5463.

12. D. Jose, P. Kar, D. Koley, B. Ganguly,* W. Thiel, H. Ghosh,* A. Das,* “Phenol- and Catechol- based Ruthenium(II) Polypyridyl Complexes as Colorimetric Sensors for Fluoride Ion”, Inorg. Chem. 2007, 46, 5576-5584.

11. B. Ganguly, D. Koley, W. Thiel,* “Intra-annular cyclophane diamines as proton sponges: a
computational study”, Tetrahedron 2007, 63, 7970-7976.

10. L. J. Gooßen,* D. Koley, H. L. Hermann, W. Thiel,* “Palladium monophosphine intermediates in catalytic cross-coupling reactions: A DFT study”, Organometallics 2006, 25, 54-57. (Top cited article in 2006; Organometallics, ACS) (Cover Picture of Journal of Physical Chemistry A, 2009, Volume 113, Issue 43, Pages 11455 – 12044)

9. D. Koley, “Density Functional Studies of Transition-Metal Catalyzed Reactions” PhD Thesis, 2005, Mathematisch-Naturwissenschaftlichen Fakultät der Heinrich-Heine-Universität Düsseldorf, Düsseldorf.

8. Z. Hussain,* D. Koley, H. Hopf, “Synthesis and Stereochemical Aspects of Ethyl
1,1a,2,3,4,5,6,6a-Octahydro-4-octylcyclopropa[f]indene-1-carboxylate”, Helv. Chim. Acta. 2005, 88, 3263-3272.

7. L. J. Gooßen,* J. Paetzold, D. Koley, “New syntheses and reactions of enol esters”, Abstracts of papers of The American Chemical Society 229: U503-U504 496-ORGN Part 2, March 13 th 2005.

6. V. R. Jensen,* D. Koley, M. N. Jagadeesh, W. Thiel,* “DFT investigation of the single-center, two-state model for the broken rate order of transition metal catalyzed olefin polymerization”, Macromolecules 2005, 38, 10266-10278.

5. L. J. Goossen,* D. Koley, H. L. Hermann, W. Thiel,* “The palladium-catalyzed cross-coupling reaction of carboxylic anhyrides with arylboronic acids: a DFT study”, J. Am. Chem. Soc. 2005, 127, 11102-11114.

4. L. J. Goossen,* D. Koley, H. L. Hermann, W. Thiel,* “Mechanistic pathways for oxidative
addition of aryl halides to palladium(0) complexes: A DFT study”, Organometallics 2005, 24, 2398- 2410.

3. L. J. Gooßen,* D. Koley, H. L. Hermann, W. Thiel,* “The mechanism of the oxidative addition of aryl halides to Pd-catalysts: a DFT investigation” Chem Commun. 2004, 2141-2143. (Top 10 communications in Nov 2004)

2. L. J. Goossen, J. Paetzold, D. Koley, “Regiocontrolled Ru-catalyzed addition of carboxylic acids to alkynes: practical protocols for the synthesis of vinyl esters†”, Chem. Commun. 2003, 706-707. (Cited in ChemInform, 8 th July, 2003; Vol 34; Issue 27)

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1. D. Koley, “Attempted TiCl promoted Reactions of some tertiary amines with benzonitrile” Master’s Thesis, 2001, Indian Institute of Technology (IIT) Delhi, New Delhi.

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