Publications
2024
[84] T. Higaki, K. Tanaka, S. Oishi, K. Kawamoto, M. Tada, W. M. C. Sameera, R. Takahata, T. Teranishi, S. Kikkawa, S. Yamazoe, T. Shiga, M. Nihei, T. Kato, R. E. Cramer, Z. Zhang, K. Meyer, Y. Ohki. An icosahedral 55-atom iron hydride cluster protected by phosphines. (Submitted)
[83] T. Nguyen, Y. Oba, W. M. C. Sameera, K. Furuya, N. Watanabe. Chemical pathways of SO2 with hydrogen atoms on dust grains. Astrophys. J. 2024 (Accepted)
[82] REVIEW: N. M. Lakshan, D. C. Aluthge, W. M. C. Sameera,* Computational studies of molybdenum-containing metal-sulfur and metal-hydride clusters, Catalysts, 2024 (Accepted)
[81] T. Saito, M. Yoshida, K. Segawa, D. Saito, J. Takayama, S. Hiura, A. Murayama, N. M. Lakshan, W. M. C. Sameera, A. Kobayashi, M. Kato. Excited-state delocalization governing drastic thermo-responsive emission in Pd(II) and Pt(II) one-dimensional chains. Chem. Sci., 2024,15, 14497-14505.
[80] A. P Jayaweera, B. Senevirathne, S. Weerasinghe, N. Watanabe, G. Nyman, F. Dulieu, W. M. C. Sameera,* On the mechanism and quantum tunneling of the CO2 + OH anion reaction in ice: a computational study. ACS Earth Space Chem. 2024, 8, 7, 1451–1459.
[79] R. Kandler, Y. Benaragama, M. Bera, C. Wang, R. A. Samiha, W. M. C. Sameera, S. Das, A. Nag, Development of novel immobilized copper–ligand complex for click chemistry of biomolecules, Molecules, 2024, 29, 2148.
[78] Y. Matsuoka, Y. Sakai, H. Izu, M. Fujisawa, M. Tada, N. M. Lakshan, W. M. C. Sameera, K. Tanifuji, Y. Ohki. Silylation of N2 catalyzed by cubic [Mo3S4Ni] clusters bearing Mo-bound cyclopentadienyl ligands, Coordination Chemistry Research, 2024, 100001.
[77] S. Kondo, N. Yoshimura, A. Kobayashi, K. D. C. Kuruppu, W. M. C. Sameera, M. Yoshida, M. Kato. Vapoluminescent thin-film with unsaturated copper(I) complex for rapid light-on sensing of N-heteroaromatic vapour. J. Mater. Chem. C. 2024, 2024,12, 1799-1808.
[76] BOOK CHAPTER: W. M. C. Sameera, Y. Sumiya, B. B. Skjelstad, S. Maeda, Automated Mechanism Discovery, Comprehensive Computational Chemistry, 2024, 4, 454-484.
[75] A. Ishibashi, H. Hidaka, W. M. C. Sameera, Y. Oba, N. Watanabe, Determination of the branching ratio of CH3OH + OH reaction on water ice surface at 10 K: Detection of sequential reactions implying CH3O diffusion. Astrophys. J. 2024, 960. 90.
2023
[74] H. Izu, D. G. Bhave, Y. Matsuoka, W. M. C. Sameera,* K. Tanifuji, Y. Ohki, Synthesis, Characterizations, and Catalytic Activity of a Cubic [Mo3S4Pd] Cluster Bearing Bulky Cyclopentadienyl Ligands. Eur. J. Inorg. Chem. 2023, 26, e202300399.
[73] N. Balucani, M. Bertin, M. Brann, W. A. Brown, C. Ceccarelli, R. Martın-Domenech, J. Fulker, R. T. Garrod, J. Green, M. S. Gudipati, D. E. Heard, E. Herbst, U. Jacovella, I. Kamp, M. R. S. McCoustra, W. M. C. Sameera, I. Sims, A. Sturm, S. Viti, S. W. Weaver, L. Wiesenfeld, O. H. Wilkins, Laboratory astrochemistry of and on dust and ices: general discussion, Faraday Discuss., 2023,245, 519-540
[72] W. M. C. Sameera,* A. P. Jayaweera, A. Ishibashi, H. Hidaka, Y. Oba, N. Watanabe, A systematic mechanistic survey on the reactions between OH radical and CH3OH on ice. Faraday Discuss., 2023, 245, 508-518.
[71] Y. Nakai, W. M. C. Sameera, K. Furuya, H. Hidaka, A. Ishibashi, N. Watanabe, Methanol formation through reaction of low energy CH3+ ions with an amorphous solid water surface at low temperature. Astrophys. J. 2023. 953, 162.
2022
[70] T. Nguyen, Y. Oba, W. M. C. Sameera, K. Furuya, A. Kouchi, N. Watanabe. Surface reaction of methyl mercaptan (CH3SH) with hydrogen atoms on amorphous solid water, Astrophys. J. 2023, 944, 146.
2022.
[69] Ohki, K. Munakata, R. Hara, M. Kachi, K. Uchida, M. Tada, R. E. Cramer, W. M. C. Sameera, T. Takayama, Y. Sakai, S. Kuriyama, Y. Nishibayashi, K. Tanifuji, Nitrogen reduction by the Fe sites of synthetic [Mo3S4Fe] cubes. Nature, 2022, 607, 86-90.
[68] T. Darshani, S. R. Samarakoon , F. R. Fronczek, W. M. C. Sameera, I. C. Perera, T. Perera, Biological evaluation of platinum(II) sulfonamido complexes: synthesis, characterization, cytotoxicity and biological imaging. Bioinorg Chem Appl . 2022. DOI: 10.1155/2022/7821284
[67] N. Vitharana, C. Kaushalya, T. Perera, S. Deraniyagala, W. M. C. Sameera, A. Cooray. Dipicolylamine based fluorescent probes and their potential for the quantification of Fe3+ in aqueous solutions. ACS Omega, 2022, 7, 32, 28342–28350.
[66] K. Tanifuji, Y. Sakai, Y. Matsuoka, M. Tada, W. M. C. Sameera, Y. Ohki, CO Binding onto the Vertex Heterometals of [Mo3S4M] (M = Fe, Co, Ni) Cubes. Bull. Chem. Soc. Jpn. 2022, 95, 1190-1195.
[65] BOOK CHAPTER: Transition metal catalyzed cross-coupling and nitrogen reduction reactions: lessons from computational studies. W. M. C. Sameera,* Y. Takeda, Y. Ohki. Advances in Organometallic Chemistry, 2022, 78, 35-78.
[64] REVIEW: W. M. C. Sameera,* B. Senevirathne, T. Nguyen, Y. Oba, A. Ishibashi, M. Tsuge, H. Hidaka, N. Watanabe, Quantum chemical modelling of the radical chemistry on ice surfaces: an integrated quantum chemical and experimental approach, Front. Astron. Space Sci. 2022, 9, 890161.
2021
[63] T. Nguyen, Y. Oba, W. M. C. Sameera, A. Kouchi, N. Watanabe, Experimental and computational studies on the surface reaction of carbonyl sulfide with hydrogen atoms on compact amorphous solid water. Astrophys. J. 2021, 922, 146.
[62] T. Fujita, M. Yamane, W. M. C. Sameera, H. Mitsunuma, M. Kanai, Siloxy esters as traceless activator of carboxylic acids: Boron-catalyzed chemoselective asymmetric aldol reaction, Angew. Chem. Int. Ed. 2021, 60, 24598-24604.
[61] T. Nguyen, Y. Oba, W. M. C. Sameera, A. Kouchi, N. Watanabe, Experimental and computational studies on the physico-chemical behavior of phosphine induced by reactions with H and D atoms on interstellar ice grains. Astrophys. J. 2021. 198, 73.
[60] N. Thushara, T. Darshani, S. R. Samarakoon, I. C. Perera, F. R. Fronczek, W. M. C. Sameera,T. Perera. Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents. RSC. Adv. 2021,11, 17658-17668.
[59] Y. Takeda, K. Toyoda, W. M. C. Sameera,* N. Tohnaia, S. Minakata, Pd-catalyzed regioselective and stereospecific ring-opening Suzuki–Miyaura arylative cross-coupling of 2-arylazetidines with arylboronic acids. Adv. Synth. Catal. 2021, 363, 2796-2805.
[58] J. Stenger-Smith, I. Chakraborty, R. Ouattara, W. M. C. Sameera, K. Rue, P. Mascharak. CO release from Mn(I)-based photoCORMs with single photons in the phototherapeutic region. Chem. Commun. 2021, 57, 1101-1104.
[57] K. Kitajima, Y. Nakai, W. M. C. Sameera, M. Tsuge, A. Miyazaki, H. Hidaka, A. Kouchi, N. Watanabe. Delivery of electrons by proton-hole transfer in ice at 10 K: Role of surface OH radicals. J. Phys. Chem. Lett. 2021, 12, 1, 704–710.
2020
[56] W. M. C. Sameera*, B. Senevirathne, S. Andersson, M. Al-lbadi, H. Hidaka, A. Kouchi, G. Nyman, N. Watanabe. CH3O radical binding on hexagonal water ice and amorphous solid water. J. Phy. Chem. A, 2021, 125, 1, 387–393.
2020.
[55] A. Miyazaki, N. Watanabe, W. M. C. Sameera, Y. Nakai, M. Tsuge, T. Hama, H. Hidaka, A. Kouchi. Photostimulated desorption of OH radicals from amorphous solid water: Evidence for the interaction of visible light with an OH-ice complex. Phys. Rev. Lett. A, 2020, 102, 052822.
[54] Y. Takeda, W. M. C. Sameera*, S. Minakata, Palladium-catalyzed regioselective and stereospecific ring-opening cross-coupling of aziridines: experimental and computational studies. Acc. Chem. Res. 2020, 53, 1686-1702. open access
[53] Y. Ohki, K. Ishihara, M. Yaoi, M. Tada, W. M. C. Sameera, R. E. Cramerd, A Dinuclear Mo2H8 Complex Supported by Bulky C5H2tBu3 ligands. Chem. Commun. 2020, 56, 8035-8038.
[52] K. Ishihara, Y. Araki, M. Tada, T. Takayama, Y. Sakai, W. M. C. Sameera,* Y. Ohki, Synthesis of dinuclear Mo-Fe hydride complexes and catalytic silylation of N2. Chem. Eur. J. 2020, 26, 9537-9546. Hot Paper
[51] C. Wakasugi, M. Yoshida, W. M. C. Sameera, Y. Shigeta, A. Kobayashi, M. Kato, Bright luminescent platinum(II)-biaryl emitters synthesized without air-sensitive reagents. Chem. Eur. J. 2020, 26, 5449-5458. Hot Paper
2019
[50] T. Ogawa, W. M. C. Sameera, M. Yoshida, A. Kobayashi, M. Kato, Phosphorescence properties of anionic cyclometalated platinum(II) complexes with fluorine-substituted tridentate diphenylpyridine in the solid state. Chem. Phys. Lett. 2020, 137024.
2019.
[49] N. Watanabe, W. M. C. Sameera, H. Hidaka, A. Miyazaki, A. Kouchi, Ultraviolet-photon exposure stimulates negative current conductivity in amorphous ice below 50 K. Chem. Phys. Lett. 2019, 737, 136820.
[48] J. González-Fabra, F. Castro-Gómez, W. M. C. Sameera, G. Nyman, A. Kleij, C. Bo, Towards the quantitative evaluation of the catalytic activity in the Al(III) catalyzed formation of cyclic carbonates from CO2 and epoxides. Catal. Sci. Technol. 2019, 9, 5433-5440.
[47] S. Yanagida, M. Yoshida, W. M. C. Sameera, A. Kobayashi, M. Kato, Masako, Insight into the origin of competitive emission of copper(I) complexes bearing diimine and diphosphine ligands, Bull. Chem. Soc. Jpn. 2019, 92, 1684-1693.
[46] Y. Takeda, T. Matsuno, A. K. Sharma, W. M. C. Sameera,* S. Minakata, Asymmetric synthesis of b-aryl amino acids through Pd-catalyzed enantiospecific and regioselective ring-opening Suzuki-Miyaura arylation of aziridine-2-carboxylates. Chem. Eur. J. 2019, 25, 10226-10231.
[45] M. Yoshida, H, Shitama, W. M. C. Sameera, A. Kobayashi, M. Kato, Robust triplatinum redox-chromophore for a post-synthetic color-tunable electrochromic system, Chem. Eur. J. 2019, 25, 7669-7678.
[44] A. K. Sharma, W. M. C. Sameera,* Y. Takeda, S. Minakata, A computational study on the mechanism and origin of the reigioselectivity and stereospecificity in Pd/SIPr-catalyzed ring-opening cross-coupling of 2-arylaziridines with aryl-boronic acids. ACS Catal. 2019, 9, 4582-4592. 2018.
2018
[43] T. Ogawa, W. M. C. Sameera, M. Yoshida, A. Kobayashi, M. Kato, Anionic platinum(II) complexes bearing N-heterocyclic carbenes in a discrete space: Intense luminescence and colour variation based on regioselective π-extension. Inorg. Chem. 2018, 57, 14086-14096.
[42] Y. Ohki, K. Uchida, R. Hara, M. Kachi, M. Fujisawa, M. Tada, Y. Sakai, W. M. C. Sameera, Cubane-Type [Mo3S4M] Clusters with First-Row Group 4-10 Transition-Metal Halides Supported by C5Me5 Ligands on Molybdenum. Chem. Eur. J. 2018, 24, 17138-17147.
[41] W. M. C. Sameera,* F. Maseras, Expanding the range of force fields available for ONIOM calculations: the SICTWO interface. J. Chem. Info. Model. 2018, 58, 1828-1835.
[40] A. Olmos, R. Gava, B. Noverges, D. Bellezza, M. Besora, W. M. C. Sameera, M. Etienne, F. Maseras, G. Asensio, A. Caballero, P. J. Pérez, Measuring the relative reactivity of the carbon-hydrogen bonds of alkanes as nucleophiles. Angew. Chem. Int. Ed. 2018, 13, 13848-13852.
[39] P. Liang, A. Kobayashi, W. M. C. Sameera, M. Yoshida, M. Kato, Solvent-free thermal synthesis of luminescent dinuclear Cu(I) complexes with triarylphosphines. Inorg. Chem. 2018, 57, 5929-5938.
[38] BOOK CHAPTER: R. Ramozzi, W. M. C. Sameera, K. Morokuma, Predicting reaction pathways from reactants, Applied Theoretical Chemistry, PP. 321-349, Ed. Dean J. Tantillo, World scientific publishing. (ISBN: 978-1-78634-408-3)
[37] T. Ogawa, W. M. C. Sameera, M. Yoshida, A. Kobayashi, M. Kato, Luminescent ionic liquids based on cyclometalated platinum(II) complexes exhibiting thermochromic behaviour in different colour regions. Dalton Trans. 2018, 47, 5589-5594.
[36] J. Jimenez, I. Chakraborty, A. Dominguez, J. Martinez-Gonzalez, W. M. C. Sameera, P. K. Mascharak, A luminescent manganese photoCORM for CO delivery to cellular targets under the control of visible light. Inorg. Chem. 2018, 57, 1766-1773.
2017
[35] J. Stenger-Smith, I. Chakraborty, W. M. C. Sameera, and P. K. Mascharak, Antimicrobial silver (I) complexes derived from aryl- benzothiazoles as turn-on sensors: syntheses, properties and density functional studies. Inorg. Chim. Acta. 2018, 471, 326-335.
2017.
[34] A. K. Sharma, W. M. C. Sameera, M. Jin, Masayoshi, L. Adak, C. Chiemi, T. Iwamoto, M. Kato, M. Nakamura, K. Morokuma, DFT and AFIR Study on the Mechanism and the Origin of Enantioselectivity in Iron-Catalyzed Cross-Coupling Reactions. J. Am. Chem. Soc. 2017, 16117-16125. open access
[33] M. Isegawa, W. M. C. Sameera, A. K. Sharma, T. Kitanosono, M. Kato, S. Kobayashi, K. Morokuma, Copper-catalyzed Enantioselective Boron Conjugate Addition: DFT and AFIR Study on Different Selectivities of Cu(I) and Cu(II) Catalysts, ACS Catal. 2017, 7, 5370-5380.
[32] W. M. C. Sameera,* B. Senevirathne, S. Andersson, F. Maseras, G. Nyman, ONIOM(QM:AMOEBA09) study on binding energies and binding preference of OH, HCO, and CH3 radicals on hexagonal ice (Ih). J. Phy. Chem. C, 2017, 121, 15223-15232.
[31] BOOK CHAPTER: B. Jayawardena, D. Pandithavidana, W. M. C. Sameera,* Polysaccharides in solution: experimental and computational studies. Book title: Solubility of Polysaccharides, Ed. Zhenbo Xu (ISBN: 978-953-51-5443-3)
[30] M.-C. Yang, A. K. Sharma, W. M. C. Sameera, K. Morokuma, M.-D. Su, A Theoretical study on the addition reactions of L4M(M = Rh, Ir) and L2M(M = Pd, Pt) to Li+@C60. J. Phys. Chem. A, 2017, 121, 2665-2673.
[29] I. Chakraborty, J. Jimenez, W. M. C. Sameera, M. Kato, P. K. Mascharak, Luminescent Re(I) carbonyl complexes as trackable photoCORMs for CO delivery to cellular targets. Inorg. Chem. 2017, 56, 2863-2873.
[28] A. Watanabe,a A. Kobayashi, E. Saito, Y. Nagao, S. Omagari, T. Nakanishi, Y. Hasegawa, W. M. C. Sameera, M. Yoshida, M. Kato, Development of ion-conductive and vapoluminescent porous coordination polymers composed of ruthenium(II) metalloligand. Inorg. Chem. 2017, 56, 3005-3013.
[27] L. Maestre, R. Dorel, O. Pablo, I. Escofet, W. M. C. Sameera, E. Álvarez, F. Maseras, M. M. Diaz-Requejo, A. M. Echavarren, P. J. Pérez, Functional group tolerant silver-catalyzed N-N bond formation by nitrene transfer to amines. J. Am. Chem. Soc. 2017, 139, 2216-2223.
2016
[26] Y. Ohki, Y. Shimizu, R. Araake, M. Tada, W. M. C. Sameera, J.-I. Ito, H. Nishiyama, Co6H8(PiPr3)6: A Cobalt Octahedron with Face-Capping Hydrides. Angew. Chem. Int. Ed. 2016, 128, 16053-16057.
[25] D. Sharma, W. M. C Sameera, S. Andersson, G. Nyman, M. J. Paterson, Computational study of the interactions between benzene and crystalline ice Ih: Ground and excited states. ChemPhysChem, 2016, 17, 4079-4089.
[24] S. Inaba, W. M. C. Sameera, Dehydration of Methanediol in Aqueous Solution: An ONIOM(QM:MM) Study. J. Phys. Chem. A, 2016, 120, 6670-6676.
[23] REVIEW: W. M. C. Sameera, A. K. Sharma, S. Maeda, K. Morokuma, Artificial force induced reaction method for systematic determination of complex reaction mechanisms. Chem. Rec., 16, 2016, 2349-2363.
[22] Y. Takeda, A. Kuroda, W. M. C. Sameera, K. Morokuma, S. Minakata, Palladium-catalyzed regioselective ring-opening borylation of 2-arylaziridines with bis(pinacolato)diboron: experimental and computational studies. Chem. Sci. 2016, 7, 6141-6152. open access
[21] S. Sasaki, S. Suzuki, W. M. C. Sameera, K. Igawa, K. Morokuma, G. Konishi, Highly twisted N,N-dialkylamines as a design strategy to tune simple aromatic hydrocarbons as steric environment-sensitive fluorophores. J. Am. Chem. Soc. 2016, 138, 8194-8206.
[20] REVIEW: W. M. C. Sameera, S. Maeda, K. Morokuma, Computational catalysis using the artificial force induced reaction (AFIR) method. Acc. Chem. Res. 2016, 49, 763-773. open access
[19] I. Funes-Ardoiz, W. M. C. Sameera, R. M. Romero, C. Martínez, J. A. Souto, D. Sampedro, K. Muñiz, F. Maseras, DFT rationalization of the diverse outcomes of the iodine(III)-mediated oxidative amination of alkenes. Chem. Eur. J. 2016, 22, 1-10.
2015
[18] W. M. C. Sameera, M. Hatanaka, T. Kitanosono, S. Kobayashi, K. Morokuma. The Mechanism of Iron(II)-catalyzed Asymmetric Mukaiyama Aldol Reaction in Aqueous Media: Density Functional Theory and Artificial Force-Induced Reaction Study. J. Am. Chem. Soc., 2015, 137, 11085-11094. open access
[17] REVIEW: L. W. Chung, W. M. C. Sameera, R. Ramozzi, A. J. Page, M. Hatanaka, G. P. Petrova, T. V. Harris, X. Li, Z. Ke, F. Liu, H-B. Li, L. Ding and K. Morokuma, The ONIOM Method and its Applications. Chem. Rev. 2015, 115, 5678-5796. open access
[16] REVIEW: M. Besora, A. A. C. Braga, W. M. C. Sameera, J. Urbano, M. R. Fructos, P. J. Perez, F. Maseras, A computational view on the reactions of hydrocarbons with coinage metal complexes. J. Organomet. Chem. 2015, 784, 2-12.
2014
[15] J. Llaveria, Á. Beltrán, W. M. C. Sameera, A. Locati, M. M. Díaz-Requejo, M. I. Matheu, S. Castillón, F. Maseras, P. J. Pérez, Chemo, Regio- and Stereoselective Silver-Catalyzed Aziridination of Die-nes: Scope, Mechanistic Studies and Ring-Opening Reactions. J. Am. Chem. Soc. 2014, 136, 5342-5350.
[14] E. M. Zueva, R. Herchel, S. Borshch, E. V. Govor, W. M. C. Sameera, R. McDonald, J. Singleton, Y. Sanakis, J. Krzystek, J. E. McGrady, and R. G. Raptis. Double exchange in a mixed-valent octanuclear iron cluster, [Fe8(μ4-O)4(μ-4-Cl-pz)12Cl4]–. Dalton Trans, 2014, 43, 11269-11276.
2013
[13]. L. Maestre, W. M. C. Sameera, M. M. Díaz-Requejo, F. Maseras, P. J. Pérez. A General Mechanism for the Copper- and Silver-Catalyzed olefin aziridination reactions: concomitant involvement of the singlet and triplet pathways. J. Am. Chem. Soc., 2013, 135, 1338-1348.
[12]. I. Rivilla, W. M. C. Sameera, E. Alvarez, M. M. Díaz-Requejo, F. Maseras, P. J. Pérez. Catalytic cross-coupling of diazo compounds with coinage metal-based catalysts: an experimental and theoretical study. Dalton Trans, 2013, 42, 4132-4138. [Front cover page picture in the themed collection: Mechanistic Organometallic Chemistry]
2012
[11] V. P. Georgiev, W. M. C. Sameera, J. E. McGrady, Attenuation of conductance in extended metal atom chains. J. Phys. Chem. C. 2012, 116, 20163-20172. [Front cover page picture]
[10] W. M. C. Sameera,* D. A. Pantazis, A hierarchy of methods for the energetically accurate modelling of isomerism in aldohexoses. J. Chem. Theory Comput., 2012, 8, 2630-2645. [Featured in Computational Chemistry Highlights]
[9] W. M. C. Sameera, D. M. Piñero, R. Herchel, Y. Sanakis, J. E. McGrady, R. G. Raptis, E. M. Zueva. The role of pyrazolato-bridges in the magnetic superexchange within a triangular Fe(III)3(μ3-O) complex. Eur. J. Inorg. Chem., 2012, 21, 3500-3506.
[8] REVIEW: W. M. C. Sameera, F. Maseras, Transition metal catalysis by density functional theory and density functional theory molecular mechanics. WIREs Comput. Mol. Sci., Wiley-VCH, 2012, 2, 375-380.
2011 -2008
[7] W. M. C. Sameera, F. Maseras, Quantum mechanics/molecular mechanics methods can be more accurate than full quantum mechanics in system involving dispersion correlations, Phys. Chem. Chem. Phys., 2011, 13, 10520-10526. [PCCP Most-Read Articles for Q2 2011. [Themed collection: Multiscale modelling]
[6] W. M. C. Sameera, C. J. McKenzie, J. E. McGrady, On the mechanism of water oxidation by a bimetallic manganese catalyst: a density functional study. Dalton Trans, 2011, 40, 3859-3870. [Themed collection: Contributions of inorganic chemistry to energy research]
[5] J. M. Muñoz-Molina, W. M. C. Sameera, E. Álvarez, F. Maseras, T. R. Belderrain, P. J. Pérez. Mechanistic and computational studies of the atom transfer radical addition of polyhalogenated alkanes to olefins catalyzed by copper-homoscorpionate complexes. Inorg. Chem., 2011, 50, 2458-2467.
[4] E. M. Zueva, W. M. C. Sameera, D. M. Piñero, I. Chakraborty, E. Devlin, P. Baran, K. Lebruskova, Y. Sanakis, J. E. McGrady, R. G. Raptis, Experimental and theoretical Mössbauer study of an extended family of [Fe8(μ4-O)4(μ-4-R-px)12X4] clusters. Inorg. Chem., 2011, 50, 1021-1029.
[3] W. M. C. Sameera,* Electronic structure of transition metal ions and clusters. PhD dissertation, University of Glasgow, United Kingdom, 2010.
[2] A. E. Anastasi, P. H. Walton, J. R. L. Smith, W. M. C. Sameera, J. E. McGrady, On the oxidation of alkyl and aryl sulfides by [(Me3TACN)Mn(V)O(OH)2]+: A density functional study. Inorg. Chim. Acta., 2008, 361, 1079-1086. [Dedicated to Prof. Edward Solomon]
[1] W. M. C. Sameera, J. E. McGrady, The role of substrate in unmasking oxyl character in oxomanganese complexes: the key to selectivity. Dalton Trans, 2008, 6141-6149.