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Kumar, T. J. Dhilip, Tarakeshwar, P., Balakrishnan, N. (2009) Geometric and electronic structures of hydrogenated transition metal (Sc, Ti, Zr) clusters. Physical Review B, 79 (20) doi:10.1103/physrevb.79.205415

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Reference TypeJournal (article/letter/editorial)
TitleGeometric and electronic structures of hydrogenated transition metal (Sc, Ti, Zr) clusters
JournalPhysical Review B
AuthorsKumar, T. J. DhilipAuthor
Tarakeshwar, P.Author
Balakrishnan, N.Author
Year2009 (May 18)Volume79
Issue20
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.79.205415Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14201699Long-form Identifiermindat:1:5:14201699:4
GUID0
Full ReferenceKumar, T. J. Dhilip, Tarakeshwar, P., Balakrishnan, N. (2009) Geometric and electronic structures of hydrogenated transition metal (Sc, Ti, Zr) clusters. Physical Review B, 79 (20) doi:10.1103/physrevb.79.205415
Plain TextKumar, T. J. Dhilip, Tarakeshwar, P., Balakrishnan, N. (2009) Geometric and electronic structures of hydrogenated transition metal (Sc, Ti, Zr) clusters. Physical Review B, 79 (20) doi:10.1103/physrevb.79.205415
In(2009, May) Physical Review B Vol. 79 (20) American Physical Society (APS)

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Dhilip Kumar, T. J., Tarakeshwar, P., Balakrishnan, N. (2008) Structural, energetic, and electronic properties of hydrogenated titanium clusters. The Journal of Chemical Physics, 128 (19). 194714pp. doi:10.1063/1.2918738
Tarakeshwar, P., Kumar, T. J. Dhilip, Balakrishnan, N. (2008) Nature of Hydrogen Interaction and Saturation on Small Titanium Clusters. The Journal of Physical Chemistry A, 112 (13). 2846-2854 doi:10.1021/jp076718j
Tarakeshwar, P., Kumar, T. J. Dhilip, Balakrishnan, N. (2009) Hydrogen multicenter bonds and reversible hydrogen storage. The Journal of Chemical Physics, 130 (11). 114301pp. doi:10.1063/1.3082130
Kumar, T. J. Dhilip, Weck, Philippe F., Balakrishnan, N. (2007) Evolution of Small Ti Clusters and the Dissociative Chemisorption of H2on Ti. The Journal of Physical Chemistry C, 111 (20). 7494-7500 doi:10.1021/jp068782r
Rao, B. K., Khanna, S. N., Jena, P. (1991) Energetics and electronic structures of hydrogenated metal clusters. Physical Review B, 43 (2) 1416-1421 doi:10.1103/physrevb.43.1416
Łodziana, Zbigniew (2010) Multivalent metal tetrahydroborides of Al, Sc, Y, Ti, and Zr. Physical Review B, 81 (14) doi:10.1103/physrevb.81.144108
Nohara, Yoshiro, Yamamoto, Susumu, Fujiwara, Takeo (2009) Electronic structure of perovskite-type transition metal oxidesLaMO3(M=Ti∼Cu)byU+GWapproximation. Physical Review B, 79 (19) doi:10.1103/physrevb.79.195110
Samolia, Madhu, Dhilip Kumar, T.J. (2014) Fundamental studies of H2 interaction with MAl3 clusters [M=Li, Sc, Ti, Zr]. Journal of Alloys and Compounds, 588. 144-152 doi:10.1016/j.jallcom.2013.10.147
Garcés, Jorge, González, Rafael, Vajda, Peter (2009) First-principles study of H ordering in theαphase ofM-H systems (M=Sc, Y, Ti, Zr) Physical Review B, 79 (5) doi:10.1103/physrevb.79.054113
Pan, B. C. (2002) Geometric structures, electronic properties, and vibrational frequencies of small tellurium clusters. Physical Review B, 65 (8) doi:10.1103/physrevb.65.085407
Tao, S. X., Notten, P. H. L., van Santen, R. A., Jansen, A. P. J. (2010) Fluorite transition metal hydride induced destabilization of theMgH2system inMgH2/TMH2multilayers (TM=Sc, Ti, V, Cr, Y, Zr, Nb, La, Hf) Physical Review B, 82 (12) doi:10.1103/physrevb.82.125448
 
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