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Rahane, Amol B., Deshpande, Mrinalini D., Kumar, Vijay (2012) First Principles Calculations for Structural, Electronic, and Magnetic Properties of Gadolinium-Doped Alumina Clusters. The Journal of Physical Chemistry C, 116 (10). 6115-6126 doi:10.1021/jp300086y

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Reference TypeJournal (article/letter/editorial)
TitleFirst Principles Calculations for Structural, Electronic, and Magnetic Properties of Gadolinium-Doped Alumina Clusters
JournalThe Journal of Physical Chemistry C
AuthorsRahane, Amol B.Author
Deshpande, Mrinalini D.Author
Kumar, VijayAuthor
Year2012 (March 15)Volume116
Issue10
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp300086ySearch in ResearchGate
Generate Citation Formats
Mindat Ref. ID3907587Long-form Identifiermindat:1:5:3907587:7
GUID0
Full ReferenceRahane, Amol B., Deshpande, Mrinalini D., Kumar, Vijay (2012) First Principles Calculations for Structural, Electronic, and Magnetic Properties of Gadolinium-Doped Alumina Clusters. The Journal of Physical Chemistry C, 116 (10). 6115-6126 doi:10.1021/jp300086y
Plain TextRahane, Amol B., Deshpande, Mrinalini D., Kumar, Vijay (2012) First Principles Calculations for Structural, Electronic, and Magnetic Properties of Gadolinium-Doped Alumina Clusters. The Journal of Physical Chemistry C, 116 (10). 6115-6126 doi:10.1021/jp300086y
In(2012, March) The Journal of Physical Chemistry C Vol. 116 (10) American Chemical Society (ACS)

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Rahane, Amol B., Deshpande, Mrinalini D., Kumar, Vijay (2011) Structural and Electronic Properties of (Al2O3)n Clusters with n = 1–10 from First Principles Calculations. The Journal of Physical Chemistry C, 115 (37). 18111-18121 doi:10.1021/jp2050614
Rahane, Amol B., Deshpande, Mrinalini D., Chakraborty, Sudip (2012) Optical Properties of Gallium Oxide Clusters from First-Principles Calculations. The Journal of Physical Chemistry A, 116 (43). 10559-10565 doi:10.1021/jp3084474
Rahane, Amol B., Deshpande, Mrinalini D. (2012) Structural and Electronic Properties of Neutral and Ionic (Ga2O3)n Clusters with n = 1–10. The Journal of Physical Chemistry C, 116 (4). 2691-2701 doi:10.1021/jp209552a
Rahane, Amol B., Murkute, Punam A., Deshpande, Mrinalini D., Kumar, Vijay (2013) Density Functional Calculations of the Structural and Electronic Properties of (Y2O3)n0,Β±1 Clusters with n = 1–10. The Journal of Physical Chemistry A, 117 (26). 5542-5550 doi:10.1021/jp404225k
Saha, Pinaki, Rahane, Amol B., Kumar, Vijay, Sukumar, N. (2017) Electronic Origin of the Stability of Transition-Metal-Doped B14 Drum-Shaped Boron Clusters and Their Assembly into a Nanotube. The Journal of Physical Chemistry C, 121 (20). 10728-10742 doi:10.1021/acs.jpcc.6b10838
Wakhare, Sandhya Y., Deshpande, Mrinalini D. (2022) Rare earth metal element doped g-GaN monolayer : Study of structural, electronic, magnetic, and optical properties by first-principle calculations. Physica B: Condensed Matter, 647. 414367 doi:10.1016/j.physb.2022.414367
Aguilera-Granja, F., Torres, M. B., Vega, A., BalbΓ‘s, L. C. (2012) Structural, Electronic, and Magnetic Properties Of ConCum Nanoalloys (m + n = 12) from First Principles Calculations. The Journal of Physical Chemistry A, 116 (37). 9353-9360 doi:10.1021/jp3017997
Kumavat, Sandip, Chakraborty, Sudip, Rahane, Amol B., Deshpande, Mrinalini D., Ahuja, Rajeev (2016) Time dependent DFT investigation of the optical response in pristine and Gd doped Al2O3. RSC Advances, 6 (76). 72537-72543 doi:10.1039/c6ra15809a
Shewale, Vasundhara, Deshpande, Mrinalini (2012) Structural, electronic, and magnetic properties of NinM clusters (M=Hf, Ta, W) with n=1–12. Computational and Theoretical Chemistry, 984. 128-136 doi:10.1016/j.comptc.2012.01.021
Srivastava, Pooja, Deshpande, Mrinalini, Sen, Prasenjit (2011) First-principles study of electronic and magnetic properties of transition metal adsorbed h-BNC2 sheets. Physical Chemistry Chemical Physics, 13 (48). 21593pp. doi:10.1039/c1cp21974j
Deshpande, Mrinalini, Kanhere, D. G., Pandey, Ravindra (2006) Structural and Electronic Properties of Neutral and Ionic GanOnClusters withn= 4βˆ’7. The Journal of Physical Chemistry A, 110 (10). 3814-3819 doi:10.1021/jp0506890
 
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