Teacher Details
Kshirsagar Anjali Lalitkumar
Department of Physics
Research Areas : Computational Condensed Matter Physics
| 1) | Chattopadhyay, S., Kshirsagar, A. (2024). Design of Sn-doped cadmium chalcogenide based monolayers for valleytronics properties. Journal of Physics D: Applied Physics,
57 (4), 045301.
ISSN(print/online): 0022-3727/1361-6463,
URL/DOI: http://dx.doi.org/10.1088/1361-6463/ad0308
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| 2) | Gavhane, K.H., Bhadane, M.S., Kulkarni, P.P., Kashid, V., Ghemud, V.S., Hareesh, K., Asokan, K., Kshirsagar, A., Bhoraskar, V.N., Dhole, S.D., Dahiwale, S.S. (2024). Investigations of swift heavy ion induced thermoluminescence effect, trapping parameter analysis, and density functional theory of MgB4O7: Eu phosphor. Optical Materials,
150, 115205.
ISSN(print/online): 0925-3467/1873-1252,
URL/DOI: http://dx.doi.org/10.1016/j.optmat.2024.115205
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| 3) | Chavan, K.T., Chandra, S., Kshirsagar, A.L. (2023). Tunnel barrier to spin filter: Electronic-transport characteristics of transition metal atom encapsulated in a small Cadmium Telluride cage. Nanoscale,
15 (3), 1327-1337.
ISSN(print/online): 2040-3364/2040-3372,
URL/DOI: http://dx.doi.org/10.1039/D2NR06134A
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| 4) | Chopade, P., Kashid, V., Jawale, N.S., Rane, S.B., Jagtap, S., Kshirsagar, A., Gosavi, S.W. (2023). Controlled synthesis of monodispersed ZnSe microspheres for enhanced photo-catalytic application and its corroboration using density functional theory. Physical Chemistry Chemical Physics,
25 (15), 10567-10582.
ISSN(print/online): 1463-9076/1463-9084,
URL/DOI: http://dx.doi.org/10.1039/D3CP01016C
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| 5) | Ghemud, V.S., Jadhav, P.R., Kolhe, P.T., Shelke, P.N., Dahiwale, S.S., Kshirsagar, A. (2023). Experimental and computational study of Cu2FeSnS4: An emerging quaternary semiconductor. Optical Materials,
142, 114123.
ISSN(print/online): 0925-3467/1873-1252,
URL/DOI: http://dx.doi.org/10.1016/j.optmat.2023.114123
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| 6) | Chavan, K.T., Chandra, S., Kshirsagar, A. (2022). Half-metallicity in smallest cage-like cluster of CdTe with doping of transition metal atoms. Materials Today Communications,
30, 103104.
ISSN(print/online): 2352-4928,
URL/DOI: http://dx.doi.org/10.1016/j.mtcomm.2021.103104
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| 7) | Gaikwad, P.V., Kshirsagar, A. (2021). Hybrid assemblies of octagonal C and BN monolayers and their electronic properties. AIP Advances,
11 (5), 055114.
ISSN(print/online): 2158-3226,
URL/DOI: http://dx.doi.org/10.1063/5.0041213
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| 8) | Saraf, D., Kshirsagar, A. (2020). Theoretical prediction of stable cluster-assembled CdSe bilayer and its functionalization with Co and Cr adatoms. Journal of Physics Condensed Matter,
32 (1), 015501.
ISSN(print/online): 0953-8984/1361-648X,
URL/DOI: http://dx.doi.org/10.1088/1361-648X/ab4327
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| 9) | Bhadane, M.S., Gavhane, K.H., Ghemud, V.S., Dahiwale, S.S., Patil, P.S., Kshirsagar, A., Dhole, S.D. (2020). A post annealing effect on SrF2 nano particles: Structural, morphological, functional and dosimetric properties. Journal of Alloys and Compounds,
846, 156343.
ISSN(print/online): 0925-8388/1873-4669,
URL/DOI: http://dx.doi.org/10.1016/j.jallcom.2020.156343
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| 10) | Alegaonkar, A.P., Kibey, A.S., Alegaonkar, P.S., Kshirsagar, A., Pardeshi, S.K. (2019). Experimental and theoretical study of Tetrakis (dimethylamino) ethylene induced magnetism in otherwise nonmagnetic graphene derivatives. Materials Chemistry and Physics,
222, 132-138.
ISSN(print/online): 0254-0584/1879-3312,
URL/DOI: http://dx.doi.org/10.1016/j.matchemphys.2018.10.005
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| 11) | Gaikwad, P.V., Sharma, S.K., Sudarshan, K., Kumar, V., Kshirsagar, A., Pujari, P.K. (2018). Molecular packing of polyvinyl alcohol in PVA‐gold nanoparticles composites and its role on thermo‐mechanical properties. Polymer Composites,
39 (4), 1137-1143.
ISSN(print/online): 0272-8397/1548-0569,
URL/DOI: http://dx.doi.org/10.1002/pc.24042
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| 12) | Kekade, S.S., Gaikwad, P.V., Raut, S.A., Choudhary, R.J., Mathe, V.L., Phase, D., Kshirsagar, A., Patil, S.I. (2018). Electronic Structure of Visible Light-Driven Photocatalyst δ-Bi11VO19 Nanoparticles Synthesized by Thermal Plasma. ACS Omega,
3 (5), 5853-5864.
ISSN(print/online): 2470-1343,
URL/DOI: http://dx.doi.org/10.1021/acsomega.8b00564
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| 13) | Keswani, B.C., Saraf, D., Patil, S.I., Kshirsagar, A., James, A.R., Kolekar, Y.D., Ramana, C.V. (2018). Role of A-site Ca and B-site Zr substitution in BaTiO3 lead-free compounds: Combined experimental and first principles density functional theoretical studies. Journal of Applied Physics,
123 (20), 204104.
ISSN(print/online): 0021-8979/1089-7550,
URL/DOI: http://dx.doi.org/10.1063/1.5021249
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| 14) | Saraf, D., Chakraborty, S., Kshirsagar, A., Ahuja, R. (2018). In pursuit of bifunctional catalytic activity in PdS2 pseudo-monolayer through reaction coordinate mapping. Nano Energy,
49, 283-289.
ISSN(print/online): 2211-2855/2211-3282,
URL/DOI: http://dx.doi.org/10.1016/j.nanoen.2018.04.019
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| 15) | Ghemud, V.S., Gol, H.S., Kshirsagar, A. (2018). How different are Te clusters—a first-principles study. Journal of Nanoparticle Research,
20 (7), 177.
ISSN(print/online): 1388-0764/1572-896X,
URL/DOI: http://dx.doi.org/10.1007/s11051-018-4274-7
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| 16) | Gaikwad, P.V., Pujari, P.K., Kshirsagar, A. (2018). Effect of Passivation on Stability and Electronic Structure of Bulk-like ZnO Clusters. ACS Omega,
3 (7), 7692-7702.
ISSN(print/online): 2470-1343,
URL/DOI: http://dx.doi.org/10.1021/acsomega.8b00998
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| 17) | Pingale, R.S., Pingale, S.S., Kshirsagar, A. (2017). A fragment-based approach towards ab-initio treatment of polymeric materials. Pramana: Journal of Physics,
89 (1), 1-6.
ISSN(print/online): 0304-4289/0973-7111,
URL/DOI: http://dx.doi.org/10.1007/s12043-017-1402-3
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| 18) | Tatikondewar, L., Kshirsagar, A. (2017). Theoretical investigation of energy gap bowing in CdSxSe1-x alloy quantum dots. Physical Chemistry Chemical Physics,
19 (22), 14495-14502.
ISSN(print/online): 1463-9076/1463-9084,
URL/DOI: http://dx.doi.org/10.1039/c7cp01180f
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| 19) | Gaikwad, P.V., Pujari, P.K., Chakroborty, S., Kshirsagar, A. (2017). Cluster assembly route to a novel octagonal two-dimensional ZnO monolayer. Journal of Physics Condensed Matter,
29 (33), 335501.
ISSN(print/online): 0953-8984/1361-648X,
URL/DOI: http://dx.doi.org/10.1088/1361-648X/aa787e
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| 20) | Saraf, D., Kumar, A., Kanhere, D., Kshirsagar, A. (2017). Size dependent tunnel diode effects in gold tipped CdSe nanodumbbells. Journal of Chemical Physics,
146 (5), 054703 .
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.4975102
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| 21) | Ingole, P.P., Lesnyak, V., Tatikondewar, L., Leubner, S., Gaponik, N., Kshirsagar, A., Eychmuller, A. (2016). Probing Absolute Electronic Energy Levels in Hg‐Doped CdTe Semiconductor Nanocrystals by Electrochemistry and Density Functional Theory. ChemPhysChem,
17 (2), 244-252. Google Scholar Citations,
ISSN(print/online): 1439-4235/1439-7641,
URL/DOI: http://dx.doi.org/10.1002/cphc.201501026
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| 22) | Gaikwad, P.V., Sharma, S.K., Mukherjee, S., Sudarshan, K., Kshirsagar, A., Pujari, P.K. (2016). Evolution of embedded lithium nanoclusters in lithium implanted alumina. Materials Chemistry and Physics,
179, 143-151. Google Scholar Citations,
ISSN(print/online): 0254-0584/1879-3312,
URL/DOI: http://dx.doi.org/10.1016/j.matchemphys.2016.04.086
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| 23) | Dharmadasa, I.M., Chaure, N.B., Jadkar, S.R., Kshirsagar, A., Pathan, H.M. (2016). Forward for special issue of the Solar Asia-2015 conference: selected papers. Journal of Materials Science: Materials in Electronics,
27 (12), 12279.
ISSN(print/online): 0957-4522/1573-482X,
URL/DOI: http://dx.doi.org/10.1007/s10854-016-6021-0
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| 24) | Maity, A., Singh, A., Sen, P., Kibey, A., Kshirsagar, A., Kanhere, D.G. (2016). Structural, electronic, mechanical, and transport properties of phosphorene nanoribbons: Negative differential resistance behavior. Physical Review B,
94 (7), 075422. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.94.075422
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| 25) | Saraf, D., Kshirsagar, A (2014). Electronic structure at nanocontacts of surface passivated CdSe nanorods with gold clusters. Physical Chemistry Chemical Physics,
16 (22), 10823-10829. Google Scholar Citations,
ISSN(print/online): 1463-9076/1463-9084,
URL/DOI: http://dx.doi.org/10.1039/c4cp00069b
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| 26) | Sonawane, K.G., Phadnis, C., Tatikondewar, L., Sudarsan, V., Kshirsagar, A., Mahamuni, S. (2014). Electron energy level engineering in Zn 1− x Cd x Se nanocrystals. Journal of Materials Chemistry C,
2 (38), 8077-8082. Google Scholar Citations,
ISSN(print/online): 2050-7526/2050-7534,
URL/DOI: http://dx.doi.org/10.1039/C4TC01555J
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| 27) | Acharya, S.A., Maheshwari, N., Tatikondewar, L., Kshirsagar, A., Kulkarni, S.K. (2013). Ethylenediamine-Mediated Wurtzite Phase Formation in ZnS. Crystal Growth and Design,
13 (4), 1369-1376. Google Scholar Citations,
ISSN(print/online): 1528-7483/1528-7505,
URL/DOI: http://dx.doi.org/10.1021/cg301173k
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| 28) | Ingole, P.P., Markad, G.B., Saraf, D., Tatikondewar, L., Nene, O., Kshirsagar, A., Haram, S.K. (2013). Band Gap Bowing at Nanoscale: Investigation of CdS x Se1–x Alloy Quantum Dots through Cyclic Voltammetry and Density Functional Theory. Journal of Physical Chemistry C,
117 (14), 7376-7383. Google Scholar Citations,
ISSN(print/online): 1932-7447/1932-7455,
URL/DOI: http://dx.doi.org/10.1021/jp400021u
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| 29) | Lalsare, D.L., Kshirsagar, A. (2012). First principles results of structural and electronic properties of ZnS clusters. Bulletin of Materials Science,
35 (7), 1055-1062. Google Scholar Citations,
ISSN(print/online): 0250-4707/0973-7669,
URL/DOI: http://dx.doi.org/10.1007/s12034-012-0416-1
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| 30) | Bhattacharya, S.K., Kshirsagar, A. (2011). Defect studies in small CdTe clusters. European Physical Journal D,
61 (3), 609-619. Google Scholar Citations,
ISSN(print/online): 1434-6060/1434-6079,
URL/DOI: http://dx.doi.org/10.1140/epjd/e2010-10204-2
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| 31) | Haram, S.K., Kshirsagar, A., Gujarathi, Y.D., Ingole, P.P., Nene, O.A., Markad, G.B., Nanavati, S.P. (2011). Quantum Confinement in CdTe Quantum Dots: Investigation through Cyclic Voltammetry Supported by Density Functional Theory (DFT). Journal of Physical Chemistry C,
115 (14), 6243-6249. Google Scholar Citations,
ISSN(print/online): 1932-7447/1932-7455,
URL/DOI: http://dx.doi.org/10.1021/jp111463f
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Publications Before 2011 |
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| 32) | Bhattacharya, S.K., Deodhar, P.A, Viswanatha, R., Kshirsagar, A. (2010). Transferable orthogonal tight-binding parameters for ZnS and CdS. Journal of Physics Condensed Matter,
22 (29), 295304. Google Scholar Citations,
ISSN(print/online): 0953-8984/1361-648X,
URL/DOI: http://dx.doi.org/10.1088/0953-8984/22/29/295304
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| 33) | Kshirsagar, A.L., Kumbhojkar, N. (2008). Empirical pseudo-potential studies on electronic structure of semiconducting quantum dots. Bulletin of Materials Science,
31 (3), 297-307. Google Scholar Citations,
ISSN(print/online): 0250-4707/0973-7669,
URL/DOI: http://dx.doi.org/10.1007/s12034-008-0048-7
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| 34) | Bhattacharya, S.K., Kshirsagar, A. (2008). First principle study of free and surface terminated CdTe nanoparticles. European Physical Journal D,
48 (3), 355-364. Google Scholar Citations,
ISSN(print/online): 1434-6060/1434-6079,
URL/DOI: http://dx.doi.org/10.1140/epjd/e2008-00114-3
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| 35) | Tandon, N., Das, G.P., Kshirsagar, A. (2008). Electronic structure of GaN codoped with Mn and Cr. Physical Review B,
77 (20), 205206. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.77.205206
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| 36) | Purohit, V.S., Dey, S., Bhattacharya, S.K., Kshirsagar, A., Dharmadhikari, C.V., Bhoraskar, S.V. (2008). ECR plasma assisted deposition of zinc nanowires. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms,
266 (23), 4980-4986. Google Scholar Citations,
ISSN(print/online): 0168-583X/1872-9584,
URL/DOI: http://dx.doi.org/10.1016/j.nimb.2008.08.016
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| 37) | Bhattacharya, S.K., Kshirsagar, A. (2007). Ab initio calculations of structural and electronic properties of CdTe clusters. Physical Review B,
75 (3), 35402. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.75.035402
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| 38) | Ghebriel, H.W., Kshirsagar, A. (2007). Adsorption of molecular hydrogen and hydrogen sulfide on Au clusters. Journal of Chemical Physics,
126 (24), 244705. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.2743420
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| 39) | Woldeghebriel, H., Kshirsagar, A. (2007). How cationic gold clusters respond to a single sulfur atom. Journal of Chemical Physics,
127 (22), 224708. Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.2805388
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| 40) | Tandon, N., Das, G.P., Kshirsagar, A. (2006). Electronic structure of diluted magnetic semiconductors Ga1−xMnxN and Ga1−xCrxN. Journal of Physics Condensed Matter,
18 (40), 9245-9255. Google Scholar Citations,
ISSN(print/online): 0953-8984/1361-648X,
URL/DOI: http://dx.doi.org/10.1088/0953-8984/18/40/010
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| 41) | Harbola, M.K., Zope, R.R., Kshirsagar, A., Pathak, R.K. (2005). Momentum-space properties from coordinate-space electron density. Journal of Chemical Physics,
12 (20), 204110 . Google Scholar Citations,
ISSN(print/online): 0021-9606/1089-7690,
URL/DOI: http://dx.doi.org/10.1063/1.1904588
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| 42) | Baruah, T., Zope, R.R., Kshirsagar, A. (2000). Full-potential LAPW calculation of electron momentum distribution of ferromagnetic Ni . Physical Review B,
62 (24), 16435-16441. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.62.16435
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| 43) | Kumbhojkar, N., Nikesh, V.V., Kshirsagar, A., Mahamuni, S. (2000). Photophysical Properties of ZnS Nanoclusters. Journal of Applied Physics,
88 (11), 6260-6264. Google Scholar Citations,
ISSN(print/online): 0021-8979/1089-7550,
URL/DOI: http://dx.doi.org/10.1063/1.1321027
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| 44) | Baruah, T., Zope, R.R., Kshirsagar, A. (1999). Full-potential LAPW calculation of electron momentum density and related properties of Li. Physical Review B,
60 (15), 10770-10775. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.60.10770
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| 45) | Baruah, T., Pathak, R.K., Kshirsagar, A. (1997). Density-functional approach to one-positron and neutral-atom bound states. Physical Review A,
55 (2), 1518-1521. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.55.1518
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| 46) | Baruah, T., Kshirsagar, A., Joshi, S.S., Bedekar, A.G., Patil, S.F., Singh, P., Maiti K., Sarma, D.D. (1996). Evidence of size independent electronic structure : BaO particles in nanosize regime. Nanostructured Materials,
7, 557.
ISSN(print/online): 0965-9773/1872-9150.
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| 47) | Zope, R.R., Kshirsagar, A., Pathak, R.K. (1995). Leading corrections to the compton profiles beyond the impulse approximation: second-order correction. Chemical Physics Letters,
242 (6), 555-559. Google Scholar Citations,
ISSN(print/online): 0009-2614/1873-4448,
URL/DOI: http://dx.doi.org/10.1016/0009-2614(95)00803-C
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| 48) | Baruah, T., Zope, R.R., Kshirsagar, A., Pathak, R.K. (1994). Positron binding: A positron-density viewpoint. Physical Review A,
50 (3), 2191-2196. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.50.2191
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| 49) | Pathak, R.K., Kshirsagar, A., Hoffmeyer, R., Thakkar, A.J. (1993). Leading corrections to atomic impulse-approximation Compton profiles: A density-functional approach. Physical Review A,
48 (4), 2946-2951. Google Scholar Citations,
ISSN(print/online): 2469-9926/2469-9934,
URL/DOI: http://dx.doi.org/10.1103/PhysRevA.48.2946
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| 50) | Mahamuni, S., Khosravi, A.A., Kundu, M., Kshirsagar, A., Bedekar, A., Avasare, D.B., Singh, P., Kulkarni, S.K. (1993). Thiophenol‐capped ZnS quantum dots. Journal of Applied Physics,
73 (10), 5237-5240. Google Scholar Citations,
ISSN(print/online): 0021-8979/1089-7550,
URL/DOI: http://dx.doi.org/10.1063/1.353752
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| 51) | Kanhere, D,G., Kshirsagar, A.L., Bhamre, V. (1989). Two-component density functional theory of positron binding to negative ions. Chemical Physics Letters,
160 (5), 526-530. Google Scholar Citations,
ISSN(print/online): 0009-2614/1873-4448,
URL/DOI: http://dx.doi.org/10.1016/0009-2614(89)80057-0
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| 52) | Sharma, B.K., Gupta, A., Singh, H., Perkkiö, S., Kshirsagar, A., Kanhere, D.G. (1988). Compton profile of Palladium. Physical Review B,
37 (12), 6821-6826. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.37.6821
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| 53) | Kshirsagar, A., Kanhere, D.G., Singru, R.M. (1986). Two-photon momentum density and angular correlation of positron annihilation radiation in Pd and PdH. Physical Review B,
34 (2), 853-858. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.34.853
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| 54) | Harmalkar, A., Simas, A.M., Vedene H. Smith Jr., Westgate, W.M. (1985). Momentum space properties of atoms†. International Journal of Quantum Chemistry,
23 (3), 811-820. Google Scholar Citations,
ISSN(print/online): 0020-7608/1097-461X,
URL/DOI: http://dx.doi.org/10.1002/qua.560230305
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| 55) | Harmalkar, A., Kanhere, D.G., Singru, R.M. (1985). Electron momentum distribution in Pd and PdH. Physical Review B,
31 (10), 6415-6419. Google Scholar Citations,
ISSN(print/online): 2469-9950/2469-9969,
URL/DOI: http://dx.doi.org/10.1103/PhysRevB.31.6415
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| 56) | Harmalkar, A., Panat, P.V., Kanhere, D.G. (1980). Compton profiles for neon and argon from Xα wavefunctions. Journal of Physics B: Atomic and Molecular Physics,
13 (16), 3075-3080. Google Scholar Citations,
ISSN(print/online): 0022-3700,
URL/DOI: http://dx.doi.org/10.1088/0022-3700/13/16/006
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