Purusottam Jena - Publications

Affiliations: 
Physics Virginia Commonwealth University, Richmond, VA, United States 
Area:
Nano-structured materials, condensed matter physics, materials science
Website:
https://physics.vcu.edu/jenasgroup/

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Year Citation  Score
2023 Harris RM, Zhu Z, Tufekci BA, Jena P, Peterson KA, Bowen KH. Electronic Structure and Anion Photoelectron Spectroscopy of Uranium-Gold Clusters UAu, = 3-7. The Journal of Physical Chemistry. A. PMID 37590893 DOI: 10.1021/acs.jpca.3c03452  0.427
2021 Guan J, Zhang X, Li Q, Deng K, Jena P, Kan E. Two-dimensional metal-free boron chalcogenides BX (X = Se and Te) as photocatalysts for water splitting under visible light. Nanoscale. PMID 33537694 DOI: 10.1039/d0nr08203a  0.293
2020 Ghoilpour-Ranjbar H, Fang H, Guan J, Peters D, Seifert A, Jena P, Laskin J. Designing New Metal Chalcogenide Nanoclusters through Atom-by-Atom Substitution. Small (Weinheim An Der Bergstrasse, Germany). e2002927. PMID 33164344 DOI: 10.1002/smll.202002927  0.413
2020 Younis U, Muhammad I, Wu W, Ahmed S, Sun Q, Jena P. Assembling SiBN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance. Nanoscale. PMID 32945313 DOI: 10.1039/d0nr05143h  0.287
2020 Younis U, Muhammad I, Wu W, Ahmed S, Sun Q, Jena P. Assembling SiBN nanoribbons into a 3D porous structure as a universal anode material for both Li- and Na-ion batteries with high performance. Nanoscale. PMID 32945313 DOI: 10.1039/d0nr05143h  0.287
2020 Zhao K, Guo Y, Shen Y, Wang Q, Kawazoe Y, Jena P. Penta-BCN: A New Ternary Pentagonal Monolayer with Intrinsic Piezoelectricity. The Journal of Physical Chemistry Letters. 3501-3506. PMID 32293184 DOI: 10.1021/acs.jpclett.0c00824  0.308
2020 Qie Y, Wang S, Fu S, Xie H, Sun Q, Jena P. Yttrium-Sodium Halides as Promising Solid-State Electrolytes with High Ionic Conductivity and Stability for Na Ion Battery. The Journal of Physical Chemistry Letters. PMID 32282213 DOI: 10.1021/acs.jpclett.0c00010  0.306
2020 Xu M, Huang C, Li Y, Liu S, Zhong X, Jena P, Kan E, Wang Y. Electrical Control of Magnetic Phase Transition in a Type-I Multiferroic Double-Metal Trihalide Monolayer. Physical Review Letters. 124: 067602. PMID 32109087 DOI: 10.1103/PhysRevLett.124.067602  0.277
2020 Zhong MM, Fang H, Jena P. Record-high stability and compactness of multiply-charged clusters aided by selected terminal groups. Physical Chemistry Chemical Physics : Pccp. PMID 32016184 DOI: 10.1039/c9cp06215g  0.37
2019 Huang C, Wu F, Yu S, Jena P, Kan E. Discovery of twin orbital-order phases in ferromagnetic semiconducting VI monolayer. Physical Chemistry Chemical Physics : Pccp. PMID 31828254 DOI: 10.1039/c9cp05643b  0.366
2019 Li X, Liu J, Wang FQ, Wang Q, Jena P. Rational Design of Porous Nodal-Line Semimetallic Carbon for K-Ion Battery Anode Material. The Journal of Physical Chemistry Letters. PMID 31573207 DOI: 10.1021/Acs.Jpclett.9B02484  0.389
2019 Gutsev LG, Gutsev GL, Tibbetts KM, Jena P. Homocoupling and Heterocoupling of Grignard Perfluorobenzene Reagents via Aryne Intermediates: A DFT Study. The Journal of Physical Chemistry. A. PMID 31557029 DOI: 10.1021/acs.jpca.9b05623  0.274
2019 Nafday D, Fang H, Jena P, Saha-Dasgupta T. Boronated holey graphene: a case of 2D ferromagnetic metal. Physical Chemistry Chemical Physics : Pccp. PMID 31528915 DOI: 10.1039/c9cp02936b  0.361
2019 Yadav M, Fang H, Giri S, Jena P. Ligand stabilization of manganocene dianions - in defiance of the 18-electron rule. Physical Chemistry Chemical Physics : Pccp. PMID 31524210 DOI: 10.1039/C9Cp02331C  0.616
2019 Reddy GN, Parida R, Inostroza-Rivera R, Chakraborty A, Jena P, Giri S. Unique reactivity of B in B[GeY] (Y = H, CH, BO, CN): formation of a Lewis base. Physical Chemistry Chemical Physics : Pccp. PMID 31490523 DOI: 10.1039/C9Cp04361F  0.775
2019 Chen G, Zhao T, Wang Q, Jena P. Rational Design of Stable Di-Anions and The Concept of Super-Chalcogens. The Journal of Physical Chemistry. A. PMID 31199649 DOI: 10.1021/acs.jpca.9b01519  0.398
2019 Fang H, Jena P. Stable Tetra- and Penta-Anions in the Gas Phase. Angewandte Chemie (International Ed. in English). PMID 31184797 DOI: 10.1002/anie.201903044  0.335
2019 Reddy GN, Parida R, Jena P, Jana M, Giri S. Superhalogens as Building Blocks of Super Lewis Acids. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 30989750 DOI: 10.1002/Cphc.201900267  0.771
2019 He X, Fang H, Gosztola DJ, Jiang Z, Jena P, Wang WN. Mechanistic Insight into Photocatalytic Pathways of MIL-100(Fe)/TiO2 Composites. Acs Applied Materials & Interfaces. PMID 30865419 DOI: 10.1021/Acsami.9B00223  0.307
2019 Ampadu Boateng D, Word MD, Gutsev LG, Jena P, Tibbetts KM. Conserved Vibrational Coherence in the Ultrafast Rearrangement of 2-Nitrotoluene Radical Cation. The Journal of Physical Chemistry. A. PMID 30668102 DOI: 10.1021/acs.jpca.8b11723  0.338
2019 Halsey-Moore C, Jena P, McLeskey JT. Tuning range-separated DFT functionals for modeling the peak absorption of MEH-PPV polymer in various solvents Computational and Theoretical Chemistry. 1162: 112506. DOI: 10.1016/J.Comptc.2019.112506  0.259
2018 Fang H, Jena P. Sodium Superionic Conductors Based on Clusters. Acs Applied Materials & Interfaces. PMID 30547574 DOI: 10.1021/acsami.8b19003  0.354
2018 Fang H, Zhou J, Jena P. Super-alkalis as building blocks of one-dimensional hierarchical electrides. Nanoscale. PMID 30500028 DOI: 10.1039/C8Nr07609J  0.387
2018 Wang D, Li Z, Zhou J, Fang H, He X, Jena P, Zeng JB, Wang WN. Simultaneous Detection and Removal of Formaldehyde at Room Temperature: Janus Au@ZnO@ZIF-8 Nanoparticles. Nano-Micro Letters. 10: 4. PMID 30393653 DOI: 10.1007/S40820-017-0158-0  0.264
2018 Jena P, Sun Q. Super Atomic Clusters: Design Rules and Potential for Building Blocks of Materials. Chemical Reviews. PMID 29812916 DOI: 10.1021/acs.chemrev.7b00524  0.4
2018 Zhang Y, Liu Y, Meng Z, Ning C, Xiao C, Deng K, Jena P, Lu R. Confinement boosts CO oxidation on an Ni atom embedded inside boron nitride nanotubes. Physical Chemistry Chemical Physics : Pccp. PMID 29785437 DOI: 10.1039/C8Cp01957F  0.426
2018 Gutsev LG, Gutsev GL, Jena P. Collective Superexchange and Exchange Coupling Constants in the Hydrogenated Iron Oxide Particle FeOH. The Journal of Physical Chemistry. A. 122: 5043-5049. PMID 29746132 DOI: 10.1021/Acs.Jpca.8B03034  0.427
2018 Ampadu Boateng D, Gutsev GL, Jena P, Tibbetts KM. Erratum: "Dissociation dynamics of 3- and 4-nitrotoluene radical cations: Coherently driven C-NO bond homolysis" [J. Chem. Phys. 148, 134305 (2018)]. The Journal of Chemical Physics. 148: 179901. PMID 29739215 DOI: 10.1063/1.5036928  0.264
2018 Huang C, Zhou J, Deng K, Kan E, Jena P. Effect of Coulomb Correlation on the Magnetic Properties of Mn Clusters. The Journal of Physical Chemistry. A. PMID 29668279 DOI: 10.1021/Acs.Jpca.8B00540  0.413
2018 Ampadu Boateng D, Gutsev GL, Jena P, Tibbetts KM. Dissociation dynamics of 3- and 4-nitrotoluene radical cations: Coherently driven C-NO bond homolysis. The Journal of Chemical Physics. 148: 134305. PMID 29626885 DOI: 10.1063/1.5024892  0.288
2018 Ampadu Boateng D, Gutsev GL, Jena P, Tibbetts KM. Ultrafast coherent vibrational dynamics in dimethyl methylphosphonate radical cation. Physical Chemistry Chemical Physics : Pccp. 20: 4636-4640. PMID 29239428 DOI: 10.1039/c7cp07261a  0.25
2018 Wang S, Liu J, Qie Y, Gong S, Sun Q, Jena P. Discovery of a high-pressure phase of rutile-like CoO2 and its potential as a cathode material Journal of Materials Chemistry. 6: 18449-18457. DOI: 10.1039/C8Ta05840G  0.4
2018 Zhao T, Wang Q, Kawazoe Y, Jena P. A metallic peanut-shaped carbon nanotube and its potential for CO2 capture Carbon. 132: 249-256. DOI: 10.1016/J.CARBON.2018.02.061  0.244
2018 Feng X, Wu Q, Cheng Y, Wen B, Wang Q, Kawazoe Y, Jena P. Monoclinic C16: sp-sp hybridized nodal-line semimetal protected by PT-symmetry Carbon. 127: 527-532. DOI: 10.1016/J.CARBON.2017.11.046  0.203
2018 Wu M, Jena P. The rise of two-dimensional van der Waals ferroelectrics Wiley Interdisciplinary Reviews: Computational Molecular Science. 8: e1365. DOI: 10.1002/Wcms.1365  0.213
2017 Zhou J, Sun Q, Jena P. Valley-Polarized Quantum Anomalous Hall Effect in Ferrimagnetic Honeycomb Lattices. Physical Review Letters. 119: 046403. PMID 29341781 DOI: 10.1103/Physrevlett.119.046403  0.301
2017 Zhou J, Jena P. Giant Valley Splitting and Valley Polarized Plasmonics in Group-V Transition-Metal Dichalcogenide Monolayers. The Journal of Physical Chemistry Letters. PMID 29129083 DOI: 10.1021/Acs.Jpclett.7B02507  0.311
2017 Gutsev GL, Ampadu Boateng D, Jena P, Tibbetts KM. A Theoretical and Mass Spectrometry Study of Dimethyl Methylphosphonate: New Isomers and Cation Decay Channels in an Intense Femtosecond Laser Field. The Journal of Physical Chemistry. A. 121: 8414-8424. PMID 29035556 DOI: 10.1021/acs.jpca.7b08889  0.254
2017 Fang H, Jena P. Li-rich antiperovskite superionic conductors based on cluster ions. Proceedings of the National Academy of Sciences of the United States of America. PMID 28973929 DOI: 10.1073/pnas.1704086114  0.344
2017 Fang H, Jena P. Atomic-Level Design of Water-Resistant Hybrid Perovskites for Solar Cells by Using Cluster Ions. The Journal of Physical Chemistry Letters. PMID 28749679 DOI: 10.1021/acs.jpclett.7b01529  0.335
2017 Zhao T, Zhou J, Wang Q, Jena P. Colossal Stability of Gas Phase Tri-anions: The Concept of Super-pnictogens. Angewandte Chemie (International Ed. in English). PMID 28726300 DOI: 10.1002/Anie.201706764  0.318
2017 Zhong M, Zhou J, Fang H, Jena P. Role of ligands in the stability of BnXn and CBn-1Xn (n = 5-10; X = H, F, CN) and their potential as building blocks of electrolytes in lithium ion batteries. Physical Chemistry Chemical Physics : Pccp. PMID 28664958 DOI: 10.1039/C7Cp02642K  0.363
2017 Li X, Wang Q, Jena P. ψ-Graphene: A New Metallic Allotrope of Planar Carbon With Potential Applications as Anode Materials for Lithium-Ion Batteries. The Journal of Physical Chemistry Letters. PMID 28661670 DOI: 10.1021/acs.jpclett.7b01364  0.304
2017 Zhong MM, Zhou J, Jena P. Rational design of stable dianions by functionalizing polycyclic aromatic hydrocarbons. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28481439 DOI: 10.1002/Cphc.201700346  0.386
2017 Zhao T, Wang Q, Jena P. Rational design of super-alkalis and their role in CO2 activation. Nanoscale. PMID 28247884 DOI: 10.1039/c7nr00227k  0.409
2017 Cheng Y, Feng X, Cao X, Wen B, Wang Q, Kawazoe Y, Jena P. Body-Centered Tetragonal C16 : A Novel Topological Node-Line Semimetallic Carbon Composed of Tetrarings. Small (Weinheim An Der Bergstrasse, Germany). PMID 28079987 DOI: 10.1002/smll.201602894  0.236
2017 Huang C, Zhou J, Wu H, Deng K, Jena P, Kan E. Quantum anomalous Hall effect in ferromagnetic transition metal halides Physical Review B. 95. DOI: 10.1103/Physrevb.95.045113  0.302
2017 Zhong M, Fang H, Jena P. B(SCN)4–: A New Weakly Coordinating Anion in the Tetracyanoborate Family The Journal of Physical Chemistry C. 122: 13371-13375. DOI: 10.1021/ACS.JPCC.7B10332  0.228
2017 Fang H, Jena P. B12(SCN)12–: An Ultrastable Weakly Coordinating Dianion The Journal of Physical Chemistry C. 121: 7697-7702. DOI: 10.1021/ACS.JPCC.7B00669  0.226
2017 Reddy GN, Jena P, Giri S. Organo−Zintl-based superatoms: [Ge9(CHO)3] and [Ge9(CHO)] Chemical Physics Letters. 686: 195-202. DOI: 10.1016/J.Cplett.2017.08.056  0.697
2017 Zhao T, Zhou J, Wang Q, Jena P. Cover Picture: Colossal Stability of Gas-Phase Trianions: Super-Pnictogens (Angew. Chem. Int. Ed. 43/2017) Angewandte Chemie International Edition. 56: 13153-13153. DOI: 10.1002/Anie.201708386  0.217
2017 Zhao T, Zhou J, Wang Q, Jena P. Titelbild: Colossal Stability of Gas-Phase Trianions: Super-Pnictogens (Angew. Chem. 43/2017) Angewandte Chemie. 129: 13333-13333. DOI: 10.1002/Ange.201708386  0.214
2017 Chen Y, Liu J, Sun Q, Kawazoe Y, Jena P. Bipolar Magnetic Materials Based on 2D Ni[TCNE] Metal-Organic Coordination Networks Advanced Electronic Materials. 4: 1700323. DOI: 10.1002/AELM.201700323  0.278
2016 Teprovich JA, Washington AL, Dixon J, Ward PA, Christian JH, Peters B, Zhou J, Giri S, Sharp DN, Velten JA, Compton RN, Jena P, Zidan R. Investigation of hydrogen induced fluorescence in C60 and its potential use in luminescence down shifting applications. Nanoscale. PMID 27801449 DOI: 10.1039/C6Nr05998H  0.603
2016 Yao Q, Fang H, Deng K, Kan E, Jena P. Superhalogens as building blocks of two-dimensional organic-inorganic hybrid perovskites for optoelectronics applications. Nanoscale. PMID 27714134 DOI: 10.1039/c6nr05573g  0.311
2016 Zhao T, Zhou J, Wang Q, Kawazoe Y, Jena P. A ferromagnetic and half-metallic FeC2 monolayer containing C2 dimers. Acs Applied Materials & Interfaces. PMID 27622850 DOI: 10.1021/Acsami.6B07482  0.334
2016 Mohtadi R, Remhof A, Jena P. Complex metal borohydrides: multifunctional materials for energy storage and conversion. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 353001. PMID 27384871 DOI: 10.1088/0953-8984/28/35/353001  0.287
2016 Zhao T, Zhou J, Wang Q, Jena P. Like Charges Attract? The Journal of Physical Chemistry Letters. PMID 27351125 DOI: 10.1021/Acs.Jpclett.6B00981  0.305
2016 Zhao H, Zhou J, Jena P. Ligand Stabilized Organic Dianions in the Gas Phase and Their Potential for Electrolytes in Li-Ion Batteries. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 27324212 DOI: 10.1002/Cphc.201600467  0.331
2016 Zhu G, Liu J, Sun Q, Jena P. Assembling a bi-coordinated Cr complex for ferromagnetic nanorings: insight from first-principles calculations. Physical Chemistry Chemical Physics : Pccp. PMID 27315141 DOI: 10.1039/c6cp01908k  0.333
2016 Islamoglu T, Behera S, Kahveci Z, Tessema TD, Jena P, El-Kaderi HM. Enhanced Carbon Dioxide Capture from Landfill Gas Using Bifunctionalized Benzimidazole-Linked Polymers. Acs Applied Materials & Interfaces. PMID 27228220 DOI: 10.1021/Acsami.6B05326  0.235
2016 Zhou J, Sun Q, Wang Q, Kawazoe Y, Jena P. Intrinsic quantum spin Hall and anomalous Hall effects in h-Sb/Bi epitaxial growth on a ferromagnetic MnO2 thin film. Nanoscale. PMID 27181160 DOI: 10.1039/C6Nr01949H  0.261
2016 Huang C, Zhou J, Wu H, Deng K, Jena P, Kan E. Quantum Phase Transition in Germanene and Stanene Bilayer: From Normal Metal to Topological Insulator. The Journal of Physical Chemistry Letters. PMID 27149183 DOI: 10.1021/Acs.Jpclett.6B00651  0.287
2016 Fang H, Jena P. Molecular Origin of Properties of Organic-Inorganic Hybrid Perovskites: The Big Picture from Small Clusters. The Journal of Physical Chemistry Letters. 1596-1603. PMID 27064550 DOI: 10.1021/acs.jpclett.6b00435  0.368
2016 Giri S, Reddy GN, Jena P. Organo-Zintl Clusters [P7R4]: A New Class of Superalkalis. The Journal of Physical Chemistry Letters. 7: 800-5. PMID 26882875 DOI: 10.1021/Acs.Jpclett.5B02892  0.721
2016 Zhao H, Zhou J, Jena P. Stability of B12 (CN)12 (2-) : Implications for Lithium and Magnesium Ion Batteries. Angewandte Chemie (International Ed. in English). PMID 26880349 DOI: 10.1002/Anie.201600275  0.34
2016 Chen Y, Kan M, Sun Q, Jena P. Structure and Properties of Egyptian Blue Monolayer Family: XCuSi4O10 (X = Ca, Sr, and Ba). The Journal of Physical Chemistry Letters. 399-405. PMID 26763651 DOI: 10.1021/acs.jpclett.5b02770  0.33
2016 Zhou J, Huang C, Kan E, Jena P. Valley contrasting in epitaxial growth of In/Tl homoatomic monolayer with anomalous Nernst conductance Physical Review B. 94. DOI: 10.1103/Physrevb.94.035151  0.197
2016 O'Neal KR, Zhou J, Cherian JG, Turnbull MM, Landee CP, Jena P, Liu Z, Musfeldt JL. Pressure-induced structural transition in copper pyrazine dinitrate and implications for quantum magnetism Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.104409  0.265
2016 Zhou J, Zhang S, Wang Q, Jena P. Integrating superconducting phase and topological crystalline quantum spin Hall effect in hafnium intercalated gallium film Applied Physics Letters. 108: 253102. DOI: 10.1063/1.4954672  0.327
2016 Mukherjee P, Gupta BC, Jena P. Magnetic properties of bimetallic clusters composed of Gd and transition metals Journal of Applied Physics. 119. DOI: 10.1063/1.4941826  0.361
2016 Chen Y, Sun Q, Jena P. SiTe monolayers: Si-based analogues of phosphorene Journal of Materials Chemistry C. 4: 6353-6361. DOI: 10.1039/C6TC01138A  0.241
2016 Fang H, Jena P. Super-ion inspired colorful hybrid perovskite solar cells Journal of Materials Chemistry A. 4: 4728-4737. DOI: 10.1039/C5TA09646D  0.266
2016 Zhao T, Wang Q, Jena P. Cluster-Inspired Design of High-Capacity Anode for Li-Ion Batteries Acs Energy Letters. 1: 202-208. DOI: 10.1021/ACSENERGYLETT.6B00120  0.32
2016 Yu J, Sun Q, Jena P. Assembling π-Conjugated Molecules with Negative Gaussian Curvature for Efficient Carbon-Based Metal-Free Thermoelectric Material The Journal of Physical Chemistry C. 120: 27829-27833. DOI: 10.1021/ACS.JPCC.6B08976  0.289
2016 Zhang S, Zhou J, Wang Q, Jena P. Beyond Graphitic Carbon Nitride: Nitrogen-Rich Penta-CN2 Sheet The Journal of Physical Chemistry C. 120: 3993-3998. DOI: 10.1021/Acs.Jpcc.5B12510  0.333
2016 Wang FQ, Yu J, Wang Q, Kawazoe Y, Jena P. Lattice thermal conductivity of penta-graphene Carbon. 105: 424-429. DOI: 10.1016/j.carbon.2016.04.054  0.251
2016 Zhou J, Wang Q, Sun Q, Jena P. Strain and carrier-induced coexistence of topologically insulating and superconducting phase in iodized Si(111) films Nano Research. 9: 1578-1589. DOI: 10.1007/S12274-016-1052-7  0.31
2015 Wu F, Huang C, Wu H, Lee C, Deng K, Kan E, Jena P. Atomically Thin Transition-metal Dinitrides: High-temperature Ferromagnetism and Half-metallicity. Nano Letters. PMID 26575002 DOI: 10.1021/acs.nanolett.5b03835  0.343
2015 Zhao H, Zhou J, Fang H, Jena P. From Halogen to Superhalogen Behavior of Organic Molecules Created by Functionalizing Benzene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26467557 DOI: 10.1002/Cphc.201500603  0.299
2015 Liu J, Sun Q, Kawazoe Y, Jena P. Exfoliating biocompatible ferromagnetic Cr-trihalide monolayers. Physical Chemistry Chemical Physics : Pccp. PMID 26452203 DOI: 10.1039/c5cp04835d  0.316
2015 Guo Y, Wang Q, Kawazoe Y, Jena P. A New Silicon Phase with Direct Band Gap and Novel Optoelectronic Properties. Scientific Reports. 5: 14342. PMID 26395926 DOI: 10.1038/srep14342  0.265
2015 Tao K, Guo Q, Jena P, Xue D, Stepanyuk VS. Tuning magnetic properties of antiferromagnetic chains by exchange interactions: ab initio studies. Physical Chemistry Chemical Physics : Pccp. 17: 26302-6. PMID 26387802 DOI: 10.1039/c5cp04663g  0.307
2015 Jena P. Atomic Clusters: Opportunities in the Face of Challenges. The Journal of Physical Chemistry Letters. 6: 1549-52. PMID 26263311 DOI: 10.1021/acs.jpclett.5b00629  0.357
2015 Jena P. Superhalogens: A Bridge between Complex Metal Hydrides and Li Ion Batteries. The Journal of Physical Chemistry Letters. 6: 1119-25. PMID 26262959 DOI: 10.1021/acs.jpclett.5b00006  0.315
2015 Zhou J, Wang Q, Sun Q, Kawazoe Y, Jena P. Giant magnetocrystalline anisotropy of 5d transition metal-based phthalocyanine sheet. Physical Chemistry Chemical Physics : Pccp. 17: 17182-9. PMID 26073550 DOI: 10.1039/C5Cp01525A  0.348
2015 Yan Y, Remhof A, Rentsch D, Züttel A, Giri S, Jena P. A novel strategy for reversible hydrogen storage in Ca(BH4)2. Chemical Communications (Cambridge, England). 51: 11008-11. PMID 26008181 DOI: 10.1039/C5Cc03605D  0.544
2015 Gutsev GL, Belay KG, Weatherford CA, Ramachandran BR, Gutsev LG, Jena P. Structure and Properties of Polyfluoride Fn– Clusters (n = 3–29) Journal of Physical Chemistry A. 119: 6483-6492. PMID 25974113 DOI: 10.1021/Acs.Jpca.5B02431  0.481
2015 Zhang S, Zhou J, Wang Q, Chen X, Kawazoe Y, Jena P. Penta-graphene: A new carbon allotrope. Proceedings of the National Academy of Sciences of the United States of America. 112: 2372-7. PMID 25646451 DOI: 10.1073/Pnas.1416591112  0.254
2015 Zhou J, Zhang S, Wang Q, Kawazoe Y, Jena P. Self-assembly of metal atoms (Na, K, Ca) on graphene. Nanoscale. 7: 2352-9. PMID 25556706 DOI: 10.1039/C4Nr05990E  0.321
2015 Mukherjee P, Gupta BC, Jena P. Catalytic activities of platinum nanotubes: a density functional study European Physical Journal B. 88. DOI: 10.1140/epjb/e2015-60149-7  0.252
2015 Zhou J, Sun Q, Wang Q, Jena P. High-temperature superconductivity in heavily N- or B-doped graphene Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.064505  0.242
2015 Giri S, Child BZ, Zhou J, Jena P. Unusual stability of multiply charged organo-metallic complexes Rsc Advances. 5: 44003-44008. DOI: 10.1039/C5Ra04344A  0.628
2015 Liu Y, Zhou J, Jena P. Electronic Structure and Stability of Mono- and Bimetallic Borohydrides and Their Underlying Hydrogen-Storage Properties: A Cluster Study The Journal of Physical Chemistry C. 119: 11056-11061. DOI: 10.1021/Jp511755M  0.41
2015 Zhu G, Sun Q, Kawazoe Y, Jena P. Porphyrin-based porous sheet: Optoelectronic properties and hydrogen storage International Journal of Hydrogen Energy. 40: 3689-3696. DOI: 10.1016/J.IJHYDENE.2015.01.069  0.276
2014 Yu J, Sun Q, Kawazoe Y, Jena P. Stability and properties of 2D porous nanosheets based on tetraoxa[8]circulene analogues. Nanoscale. 6: 14962-70. PMID 25363787 DOI: 10.1039/c4nr05037a  0.323
2014 Kong XY, Xu HG, Koirala P, Zheng WJ, Kandalam AK, Jena P. Identification of hyperhalogens in Ag(n)(BO2)(m) (n = 1-3, m = 1-2) clusters: anion photoelectron spectroscopy and density functional calculations. Physical Chemistry Chemical Physics : Pccp. 16: 26067-74. PMID 25361065 DOI: 10.1039/C4Cp04299A  0.389
2014 Giri S, Behera S, Jena P. Superhalogens as building blocks of halogen-free electrolytes in lithium-ion batteries. Angewandte Chemie (International Ed. in English). 53: 13916-9. PMID 25314685 DOI: 10.1002/Anie.201408648  0.615
2014 Zhao T, Zhang S, Wang Q, Kawazoe Y, Jena P. Tuning electronic and magnetic properties of silicene with magnetic superhalogens. Physical Chemistry Chemical Physics : Pccp. 16: 22979-86. PMID 25144623 DOI: 10.1039/c4cp02758b  0.38
2014 Zhou J, Giri S, Jena P. 18-Electron rule inspired Zintl-like ions composed of all transition metals. Physical Chemistry Chemical Physics : Pccp. 16: 20241-7. PMID 25139391 DOI: 10.1039/C4Cp03141E  0.656
2014 O'Neal KR, Brinzari TV, Wright JB, Ma C, Giri S, Schlueter JA, Wang Q, Jena P, Liu Z, Musfeldt JL. Pressure-induced magnetic crossover driven by hydrogen bonding in CuF₂(H₂O)₂(3-chloropyridine). Scientific Reports. 4: 6054. PMID 25116701 DOI: 10.1038/Srep06054  0.585
2014 Giri S, Child BZ, Jena P. Organic superhalogens. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2903-8. PMID 25056518 DOI: 10.1002/cphc.201402472  0.608
2014 Behera S, King N, Samanta D, Jena P. Potential of ZrO clusters as replacement Pd catalyst. The Journal of Chemical Physics. 141: 034301. PMID 25053314 DOI: 10.1063/1.4887086  0.734
2014 Rao BK, Samanta D, Joshi S, Basu K, Baldwin SD, Jha A, Dukat M, Glennon RA, Jena P. Receptor-ligand interaction at 5-HT3 serotonin receptors: a cluster approach. The Journal of Physical Chemistry. A. 118: 8471-6. PMID 24878072 DOI: 10.1021/Jp5017906  0.702
2014 Wang H, Ko YJ, Zhang X, Gantefoer G, Schnoeckel H, Eichhorn BW, Jena P, Kiran B, Kandalam AK, Bowen KH. The viability of aluminum Zintl anion moieties within magnesium-aluminum clusters. The Journal of Chemical Physics. 140: 124309. PMID 24697443 DOI: 10.1063/1.4869104  0.415
2014 Child BZ, Giri S, Gronert S, Jena P. Aromatic superhalogens. Chemistry (Weinheim An Der Bergstrasse, Germany). 20: 4736-45. PMID 24644250 DOI: 10.1002/chem.201305057  0.645
2014 Altarawneh S, Behera S, Jena P, El-Kaderi HM. New insights into carbon dioxide interactions with benzimidazole-linked polymers. Chemical Communications (Cambridge, England). 50: 3571-4. PMID 24567950 DOI: 10.1039/C3Cc45901B  0.266
2014 Graham JD, Buytendyk AM, Zhang X, Collins EL, Kiran B, Gantefoer G, Eichhorn BW, Gutsev GL, Behera S, Jena P, Bowen KH. Alanate anion, AlH4(-): photoelectron spectrum and computations. The Journal of Physical Chemistry. A. 118: 8158-62. PMID 24512169 DOI: 10.1021/Jp500678N  0.41
2014 Wang H, Zhang X, Ko YJ, Grubisic A, Li X, Ganteför G, Schnöckel H, Eichhorn BW, Lee MS, Jena P, Kandalam AK, Kiran B, Bowen KH. Aluminum Zintl anion moieties within sodium aluminum clusters. The Journal of Chemical Physics. 140: 054301. PMID 24511934 DOI: 10.1063/1.4862989  0.495
2014 Giri S, Behera S, Jena P. Superalkalis and superhalogens as building blocks of supersalts. The Journal of Physical Chemistry. A. 118: 638-45. PMID 24383446 DOI: 10.1021/Jp4115095  0.643
2014 Zhu G, Kan M, Sun Q, Jena P. Anisotropic Mo2-phthalocyanine sheet: a new member of the organometallic family. The Journal of Physical Chemistry. A. 118: 304-7. PMID 24328048 DOI: 10.1021/jp4109255  0.377
2014 Zhou J, Sun Q, Wang Q, Jena P. Tailoring Li adsorption on graphene Physical Review B. 90. DOI: 10.1103/Physrevb.90.205427  0.204
2014 Tao K, Zhou J, Sun Q, Wang Q, Stepanyuk VS, Jena P. Self-consistent determination of HubbardUfor explaining the anomalous magnetism of the Gd13cluster Physical Review B. 89. DOI: 10.1103/Physrevb.89.085103  0.385
2014 Pradhan K, Jena P. LiFe2Cln (n = 4-6) clusters: Double-exchange mediated molecular magnets Applied Physics Letters. 105. DOI: 10.1063/1.4900421  0.526
2014 Liu Y, Giri S, Zhou J, Jena P. Intermediate Phases during Decomposition of Metal Borohydrides, M(BH4)n (M = Na, Mg, Y) The Journal of Physical Chemistry C. 118: 28456-28461. DOI: 10.1021/Jp509223D  0.634
2014 Giri S, Moore CH, Mcleskey JT, Jena P. Origin of Red Shift in the Photoabsorption Peak in MEH–PPV Polymer The Journal of Physical Chemistry C. 118: 13444-13450. DOI: 10.1021/JP5030069  0.523
2014 Giri S, Behera S, Jena P. Superalkalis and superhalogens as building blocks of supersalts Journal of Physical Chemistry A. 118: 638-645. DOI: 10.1021/jp4115095  0.644
2014 Kan M, Wang JY, Li XW, Zhang SH, Li YW, Kawazoe Y, Sun Q, Jena P. Structures and Phase Transition of a MoS2 Monolayer The Journal of Physical Chemistry C. 118: 1515-1522. DOI: 10.1021/JP4076355  0.232
2014 Zhao HM, Lin X, Li Y, Wang Q, Jena P. Structural, electronic and magnetic properties of neutral and anionic Fe2(BO2) (n=1–3) clusters Physics Letters A. 378: 2959-2964. DOI: 10.1016/J.PHYSLETA.2014.08.014  0.38
2014 Zhu G, Lü K, Sun Q, Kawazoe Y, Jena P. Lithium-doped triazine-based graphitic C3N4 sheet for hydrogen storage at ambient temperature Computational Materials Science. 81: 275-279. DOI: 10.1016/J.COMMATSCI.2013.08.015  0.268
2014 Mukherjee P, Gupta BC, Jena P. Chain-like structures of gold supported by silicon substrate (Phys. Status Solidi B 5/2014) Physica Status Solidi (B). 251. DOI: 10.1002/pssb.201470129  0.23
2014 Mukherjee P, Gupta BC, Jena P. Chain-like structures of gold supported by silicon substrate Physica Status Solidi (B). 251: 924-932. DOI: 10.1002/PSSB.201350372  0.222
2014 Child BZ, Giri S, Gronert S, Jena P. Corrigendum: Aromatic Superhalogens Chemistry - a European Journal. 20: 6213-6213. DOI: 10.1002/Chem.201400437  0.558
2014 Giri S, Behera S, Jena P. Back Cover: Superhalogens as Building Blocks of Halogen-Free Electrolytes in Lithium-Ion Batteries (Angew. Chem. Int. Ed. 50/2014) Angewandte Chemie International Edition. 53: 13942-13942. DOI: 10.1002/Anie.201409947  0.556
2014 Giri S, Behera S, Jena P. Rücktitelbild: Superhalogens as Building Blocks of Halogen-Free Electrolytes in Lithium-Ion Batteries (Angew. Chem. 50/2014) Angewandte Chemie. 126: 14162-14162. DOI: 10.1002/Ange.201409947  0.556
2013 Kan M, Zhou J, Sun Q, Kawazoe Y, Jena P. The Intrinsic Ferromagnetism in a MnO2 Monolayer Journal of Physical Chemistry Letters. 4: 3382-3386. PMID 26705581 DOI: 10.1021/Jz4017848  0.477
2013 Li X, Zhou J, Wang Q, Kawazoe Y, Jena P. Patterning Graphitic C-N Sheets into a Kagome Lattice for Magnetic Materials. The Journal of Physical Chemistry Letters. 4: 259-63. PMID 26283431 DOI: 10.1021/Jz3018804  0.329
2013 Jena P. Beyond the Periodic Table of Elements: The Role of Superatoms. The Journal of Physical Chemistry Letters. 4: 1432-42. PMID 26282295 DOI: 10.1021/jz400156t  0.388
2013 Vetter K, Proch S, Ganteför GF, Behera S, Jena P. Hydrogen mimicking the properties of coinage metal atoms in Cu and Ag monohydride clusters. Physical Chemistry Chemical Physics : Pccp. 15: 21007-15. PMID 24217243 DOI: 10.1039/c3cp53561d  0.453
2013 Zhang S, Wang Q, Kawazoe Y, Jena P. Three-dimensional metallic boron nitride. Journal of the American Chemical Society. 135: 18216-21. PMID 24191656 DOI: 10.1021/ja410088y  0.356
2013 Zhang S, Wang Q, Chen X, Jena P. Stable three-dimensional metallic carbon with interlocking hexagons. Proceedings of the National Academy of Sciences of the United States of America. 110: 18809-13. PMID 24191020 DOI: 10.1073/pnas.1311028110  0.302
2013 Zhang X, Visser B, Tschurl M, Collins E, Wang Y, Wang Q, Li Y, Sun Q, Jena P, Gantefoer G, Boesl U, Heiz U, Bowen K. Communication: In search of four-atom chiral metal clusters. The Journal of Chemical Physics. 139: 111101. PMID 24070270 DOI: 10.1063/1.4821766  0.423
2013 Chen H, Kong XY, Zheng W, Yao J, Kandalam AK, Jena P. Anomalous property of Ag(BO2)2 hyperhalogen: does spin-orbit coupling matter? Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 3303-8. PMID 23943601 DOI: 10.1002/Cphc.201300677  0.36
2013 Zhao T, Li Y, Wang Q, Jena P. All-metal clusters that mimic the chemistry of halogens. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 3227-32. PMID 23929657 DOI: 10.1002/cphc.201300511  0.431
2013 Wu M, Jena P. Magnetic hollow cages with colossal moments. The Journal of Chemical Physics. 139: 044301. PMID 23901974 DOI: 10.1063/1.4813022  0.374
2013 Mukherjee P, Gupta BC, Jena P. Electronic and magnetic properties of pristine and transition metal doped ZnTe nanowires. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 266003. PMID 23756471 DOI: 10.1088/0953-8984/25/26/266003  0.331
2013 Behera S, Samanta D, Jena P. Nitrate superhalogens as building blocks of hypersalts. The Journal of Physical Chemistry. A. 117: 5428-34. PMID 23750654 DOI: 10.1021/jp405201r  0.728
2013 Li Y, Zhang S, Wang Q, Jena P. Structure and properties of Mn4Cl9: an antiferromagnetic binary hyperhalogen. The Journal of Chemical Physics. 138: 054309. PMID 23406121 DOI: 10.1063/1.4776217  0.395
2013 Wu M, Jena P. Giant magnetic moments of B and C doped cuboctahedral Mn13 clusters. Nanoscale. 5: 2114-7. PMID 23381776 DOI: 10.1039/C3Nr33612C  0.408
2013 Wu M, Burton JD, Tsymbal EY, Zeng XC, Jena P. Hydroxyl-decorated graphene systems as candidates for organic metal-free ferroelectrics, multiferroics, and high-performance proton battery cathode materials Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.081406  0.373
2013 Knight DA, Zidan R, Lascola R, Mohtadi R, Ling C, Sivasubramanian P, Kaduk JA, Hwang SJ, Samanta D, Jena P. Synthesis, characterization, and atomistic modeling of stabilized highly pyrophoric Al(BH4)3 via the formation of the hypersalt K[Al(BH4)4] Journal of Physical Chemistry C. 117: 19905-19915. DOI: 10.1021/Jp407230A  0.313
2013 Wu M, Wang Q, Sun Q, Jena P. Functionalized Graphitic Carbon Nitride for Efficient Energy Storage The Journal of Physical Chemistry C. 117: 6055-6059. DOI: 10.1021/Jp311972F  0.35
2013 Zhang S, Zhou J, Wang Q, Jena P. Structure, Stability, and Property Modulations of Stoichiometric Graphene Oxide The Journal of Physical Chemistry C. 117: 1064-1070. DOI: 10.1021/Jp310895Q  0.319
2013 Paduani C, Jena P. Role of Ti-based catalysts in the dehydrogenation mechanism of magnesium borohydride: A cluster approach International Journal of Hydrogen Energy. 38: 2357-2362. DOI: 10.1016/J.IJHYDENE.2012.11.060  0.299
2013 Paduani C, Jena P. Structure, stability and superhalogen properties of sodium and magnesium borohydrides Chemical Physics Letters. 556: 173-177. DOI: 10.1016/J.CPLETT.2012.11.038  0.261
2013 Zhao T, Li Y, Wang Q, Jena P. Inside Cover: All-Metal Clusters that Mimic the Chemistry of Halogens (ChemPhysChem 14/2013) Chemphyschem. 14: 3166-3166. DOI: 10.1002/cphc.201390067  0.357
2012 Zhou J, Wang Q, Sun Q, Kawazoe Y, Jena P. Strain-Induced Spin Crossover in Phthalocyanine-Based Organometallic Sheets. The Journal of Physical Chemistry Letters. 3: 3109-14. PMID 26296014 DOI: 10.1021/Jz301303T  0.273
2012 Wang Q, Jena P. Density Functional Theory Study of the Interaction of Hydrogen with Li6C60. The Journal of Physical Chemistry Letters. 3: 1084-8. PMID 26288040 DOI: 10.1021/jz3002037  0.349
2012 Qian Z, Li S, Pathak B, Araújo CM, Ahuja R, Jena P. C60-mediated hydrogen desorption in Li-N-H systems. Nanotechnology. 23: 485406. PMID 23138595 DOI: 10.1088/0957-4484/23/48/485406  0.305
2012 Gutsev GL, Weatherford CA, Jena P, Johnson E, Ramachandran BR. Structure and properties of Fe(n), Fe(n)-, and Fe(n)+ clusters, n = 7-20. The Journal of Physical Chemistry. A. 116: 10218-28. PMID 23039843 DOI: 10.1021/Jp307284V  0.38
2012 Wu M, Burton JD, Tsymbal EY, Zeng XC, Jena P. Multiferroic materials based on organic transition-metal molecular nanowires. Journal of the American Chemical Society. 134: 14423-9. PMID 22881120 DOI: 10.1021/Ja304199X  0.332
2012 Joseph J, Pradhan K, Jena P, Wang H, Zhang X, Jae Ko Y, Bowen KH. Evolution of superhalogen properties in PtCl(n) clusters. The Journal of Chemical Physics. 136: 194305. PMID 22612093 DOI: 10.1063/1.4719089  0.497
2012 Behera S, Jena P. Stability and spectroscopic properties of singly and doubly charged anions. The Journal of Physical Chemistry. A. 116: 5604-17. PMID 22612055 DOI: 10.1021/jp210095q  0.39
2012 Samanta D, Jena P. Zn in the +III oxidation state. Journal of the American Chemical Society. 134: 8400-3. PMID 22559713 DOI: 10.1021/ja3029119  0.69
2012 Gutsev GL, Weatherford CA, Johnson LE, Jena P. Structure and properties of the aluminum borates Al(BO2)n and Al(BO2)n(-), (n = 1-4). Journal of Computational Chemistry. 33: 416-24. PMID 22121015 DOI: 10.1002/Jcc.21984  0.426
2012 Pathak B, Pradhan K, Hussain T, Ahuja R, Jena P. Functionalized boranes for hydrogen storage. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 13: 300-4. PMID 22076916 DOI: 10.1002/Cphc.201100585  0.428
2012 Wu M, Kandalam AK, Gutsev GL, Jena P. Origin of the anomalous magnetic behavior of the Fe13+cluster Physical Review B. 86. DOI: 10.1103/Physrevb.86.174410  0.314
2012 Kan M, Zhou J, Sun Q, Wang Q, Kawazoe Y, Jena P. Tuning magnetic properties of graphene nanoribbons with topological line defects: From antiferromagnetic to ferromagnetic Physical Review B. 85. DOI: 10.1103/Physrevb.85.155450  0.231
2012 Li X, Zhou J, Wang Q, Chen X, Kawazoe Y, Jena P. Magnetism of two-dimensional triangular nanoflake-based kagome lattices New Journal of Physics. 14: 033043. DOI: 10.1088/1367-2630/14/3/033043  0.457
2012 Gupta BC, Konar S, Jena P. Electrical transition of (3,3) carbon nanotube on patterned hydrogen terminated Si(001)-2 × 1 driven by electric field Journal of Applied Physics. 111: 123717. DOI: 10.1063/1.4729565  0.248
2012 Gutsev GL, Weatherford CA, Jena P, Johnson E, Ramachandran BR. Correction to “Structural Patterns in Carbon Chemisorption on an Icosahedral Iron Cluster” The Journal of Physical Chemistry C. 116: 10438-10438. DOI: 10.1021/Jp303534Y  0.317
2012 Gutsev GL, Weatherford CA, Jena P, Johnson E, Ramachandran BR. Structural Patterns in Carbon Chemisorption on an Icosahedral 2 Iron Cluster The Journal of Physical Chemistry C. 116: 7050-7061. DOI: 10.1021/Jp300403P  0.449
2012 Pradhan K, Jena P. Doping induced magnetic transition in Mn-based molecular systems Chemical Physics Letters. 525: 97-100. DOI: 10.1016/J.Cplett.2011.12.074  0.452
2012 Li X, Zhou J, Wang Q, Jena P. Magnetic properties of two dimensional silicon carbide triangular nanoflakes-based kagome lattices Journal of Nanoparticle Research. 14. DOI: 10.1007/S11051-012-1056-5  0.315
2012 Paduani C, Jena P. Super and hyperhalogen behavior in MgX n and GdX n (X = F, BF4) clusters Journal of Nanoparticle Research. 14. DOI: 10.1007/s11051-012-1035-x  0.284
2012 Gupta BC, Konar S, Jena P. Electric field-induced metallic transition of (3,3) carbon nanotube supported on patterned hydrogen-terminated Si(001):1 × 1 surface Journal of Nanoparticle Research. 14. DOI: 10.1007/s11051-012-0909-2  0.28
2011 Li X, Bowen KH, Jena P, Kandalam AK. Photoelectron spectroscopic study of iron-pyrene cluster anions. The Journal of Chemical Physics. 135: 204301. PMID 22128929 DOI: 10.1063/1.3661984  0.367
2011 Pradhan K, Jena P. Potential candidates for hyperhalogens: a comparative study of BO2, AlO2, and VO3 species. The Journal of Chemical Physics. 135: 144305. PMID 22010716 DOI: 10.1063/1.3650238  0.493
2011 Samanta D, Wu MM, Jena P. Au(CN)n complexes: superhalogens with pseudohalogen as building blocks. Inorganic Chemistry. 50: 8918-25. PMID 21842842 DOI: 10.1021/Ic201040C  0.746
2011 Pathak B, Samanta D, Ahuja R, Jena P. Borane derivatives: a new class of super- and hyperhalogens. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 2423-8. PMID 21796754 DOI: 10.1002/Cphc.201100320  0.745
2011 Gutsev GL, Weatherford CA, Pradhan K, Jena P. Density functional study of neutral and anionic AlO(n) and ScO(n) with high oxygen content. Journal of Computational Chemistry. 32: 2974-82. PMID 21793005 DOI: 10.1002/Jcc.21878  0.45
2011 Scheicher RH, Li S, Araujo CM, Blomqvist A, Ahuja R, Jena P. Theoretical study of C60 as catalyst for dehydrogenation in LiBH4. Nanotechnology. 22: 335401. PMID 21788688 DOI: 10.1088/0957-4484/22/33/335401  0.607
2011 Pradhan K, Gutsev GL, Weatherford CA, Jena P. Interactions of a Mn atom with halogen atoms and stability of its half-filled 3d-shell. The Journal of Chemical Physics. 134: 234311. PMID 21702560 DOI: 10.1063/1.3601753  0.46
2011 Zhou J, Lv K, Wang Q, Chen XS, Sun Q, Jena P. Electronic structures and bonding of graphyne sheet and its BN analog. The Journal of Chemical Physics. 134: 174701. PMID 21548700 DOI: 10.1063/1.3583476  0.331
2011 Pradhan K, Gutsev GL, Weatherford CA, Jena P. A systematic study of neutral and charged 3d-metal trioxides and tetraoxides. The Journal of Chemical Physics. 134: 144305. PMID 21495753 DOI: 10.1063/1.3570578  0.468
2011 Feng Y, Xu HG, Zheng W, Zhao H, Kandalam AK, Jena P. Structures and photoelectron spectroscopy of Cu(n)(BO2)m-(n, m=1, 2) clusters: observation of hyperhalogen behavior. The Journal of Chemical Physics. 134: 094309. PMID 21384971 DOI: 10.1063/1.3556818  0.357
2011 Wu MM, Wang H, Ko YJ, Wang Q, Sun Q, Kiran B, Kandalam AK, Bowen KH, Jena P. Manganese-based magnetic superhalogens. Angewandte Chemie (International Ed. in English). 50: 2568-72. PMID 21370339 DOI: 10.1002/anie.201007205  0.243
2011 Wu MM, Wang Q, Sun Q, Jena P. Reaction-induced magnetic transition in Mn2 dimers. The Journal of Physical Chemistry. A. 115: 549-55. PMID 21190326 DOI: 10.1021/jp106198u  0.36
2011 Kan M, Zhou J, Wang Q, Sun Q, Jena P. Tuning the band gap and magnetic properties of BN sheets impregnated with graphene flakes Physical Review B. 84. DOI: 10.1103/Physrevb.84.205412  0.326
2011 Zhou J, Wang Q, Sun Q, Jena P. Intrinsic ferromagnetism in two-dimensional carbon structures: Triangular graphene nanoflakes linked by carbon chains Physical Review B. 84. DOI: 10.1103/Physrevb.84.081402  0.235
2011 Lü K, Zhou J, Zhou L, Wang Q, Sun Q, Jena P. Sc-phthalocyanine sheet: Promising material for hydrogen storage Applied Physics Letters. 99: 163104. DOI: 10.1063/1.3653465  0.315
2011 Pradhan K, Jena P. Double exchange mediated ferromagnetic coupling between Co atoms in dicobalt complex Applied Physics Letters. 99. DOI: 10.1063/1.3651486  0.428
2011 Zhou J, Wang Q, Sun Q, Jena P. Stability and electronic structure of bilayer graphone Applied Physics Letters. 98: 063108. DOI: 10.1063/1.3555431  0.354
2011 Samanta D, Wu MM, Jena P. Unique Spectroscopic Signature of Nearly Degenerate Isomers of Au(CN)3 Anion The Journal of Physical Chemistry Letters. 2: 3027-3031. DOI: 10.1021/JZ2014264  0.285
2011 Wu MM, Zhong X, Wang Q, Sun Q, Pandey R, Jena P. Anisotropy and Transport Properties of Tubular C-BN Janus Nanostructures The Journal of Physical Chemistry C. 115: 23978-23983. DOI: 10.1021/Jp207973B  0.349
2011 Li X, Wang Q, Jena P. Ferromagnetism in Two-Dimensional Carbon Chains Linked by 1,3,5-Benzenetriyl Units The Journal of Physical Chemistry C. 115: 19621-19625. DOI: 10.1021/JP206667R  0.215
2011 Zhou J, Wang Q, Sun Q, Jena P. Enhanced Hydrogen Storage on Li Functionalized BC3 Nanotube The Journal of Physical Chemistry C. 115: 6136-6140. DOI: 10.1021/Jp1110778  0.35
2011 Zhao HM, Wu MM, Wang Q, Jena P. Effects of charging and doping on orbital hybridizations and distributions in TiO2 clusters Physica B: Condensed Matter. 406: 4322-4326. DOI: 10.1016/J.PHYSB.2011.08.083  0.332
2011 Contescu CI, Van Benthem K, Li S, Bonifacio CS, Pennycook SJ, Jena P, Gallego NC. Single Pd atoms in activated carbon fibers and their contribution to hydrogen storage Carbon. 49: 4050-4058. DOI: 10.1016/J.Carbon.2011.05.021  0.269
2011 Li S, Zhao H, Jena P. Ti-doped nano-porous graphene: A material for hydrogen storage and sensor Frontiers of Physics. 6: 204-208. DOI: 10.1007/S11467-011-0178-Z  0.241
2010 Wu MM, Zhou X, Zhou J, Sun Q, Wang Q, Jena P. Interaction of C(59)Si with Si based clusters: a study of Janus nanostructures. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 275303. PMID 21399252 DOI: 10.1088/0953-8984/22/27/275303  0.343
2010 Wang Q, Sun Q, Jena P. First-principles study of the effect of vacancies on magnetic properties of Zn1 - xCoxO thin films. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 076002. PMID 21386399 DOI: 10.1088/0953-8984/22/7/076002  0.29
2010 Wu MM, Wang Q, Sun Q, Jena P, Kawazoe Y. First-principles study of hydrogen adsorption in metal-doped COF-10. The Journal of Chemical Physics. 133: 154706. PMID 20969418 DOI: 10.1063/1.3503654  0.394
2010 Pradhan K, Gutsev GL, Jena P. Negative ions of transition metal-halogen clusters. The Journal of Chemical Physics. 133: 144301. PMID 20949994 DOI: 10.1063/1.3489117  0.52
2010 Willis M, Götz M, Kandalam AK, Ganteför GF, Jena P. Hyperhalogens: discovery of a new class of highly electronegative species. Angewandte Chemie (International Ed. in English). 49: 8966-70. PMID 20927787 DOI: 10.1002/anie.201002212  0.205
2010 Ko YJ, Shakya A, Wang H, Grubisic A, Zheng W, Götz M, Ganteför G, Bowen KH, Jena P, Kiran B. Electronic structure and properties of isoelectronic magic clusters: Al13X (X=H,Au,Li,Na,K,Rb,Cs). The Journal of Chemical Physics. 133: 124308. PMID 20886933 DOI: 10.1063/1.3490401  0.419
2010 Gutsev GL, Weatherford CA, Pradhan K, Jena P. Structure and spectroscopic properties of iron oxides with the high content of oxygen: FeO(n) and FeO(n)(-) (n = 5-12). The Journal of Physical Chemistry. A. 114: 9014-21. PMID 20666568 DOI: 10.1021/Jp1050645  0.452
2010 Li X, Grubisic A, Bowen KH, Kandalam AK, Kiran B, Gantefoer GF, Jena P. Communications: Chain and double-ring polymeric structures: Observation of Al(n)H(3n+1) (-) (n=4-8) and Al(4)H(14) (-). The Journal of Chemical Physics. 132: 241103. PMID 20590172 DOI: 10.1063/1.3458912  0.291
2010 Chen G, Wang Q, Sun Q, Kawazoe Y, Jena P. Structures of neutral and anionic Au(16) clusters revisited. The Journal of Chemical Physics. 132: 194306. PMID 20499962 DOI: 10.1063/1.3427293  0.407
2010 Götz M, Willis M, Kandalam AK, Ganteför GF, Jena P. Origin of the unusual properties of Au(n)(BO2) clusters. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 853-8. PMID 20186907 DOI: 10.1002/Cphc.200901027  0.493
2010 Zhou J, Wang Q, Sun Q, Jena P, Chen XS. Electric field enhanced hydrogen storage on polarizable materials substrates. Proceedings of the National Academy of Sciences of the United States of America. 107: 2801-6. PMID 20133647 DOI: 10.1073/Pnas.0905571107  0.297
2010 Wang Q, Sun Q, Jena P, Kawazoe Y. Tuning magnetic properties of Mn(4) cluster with gold coating. Physical Chemistry Chemical Physics : Pccp. 12: 1493-6. PMID 20126761 DOI: 10.1039/B921095D  0.446
2010 Wang Q, Sun Q, Jena P. Stabilizing a 22 karat nanogolden cage. The Journal of Chemical Physics. 131: 204501. PMID 19947688 DOI: 10.1063/1.3266562  0.411
2010 Zhou J, Wang Q, Sun Q, Chen XS, Kawazoe Y, Jena P. Ferromagnetism in semihydrogenated graphene sheet. Nano Letters. 9: 3867-70. PMID 19719081 DOI: 10.1021/Nl9020733  0.32
2010 Ghosh S, Wang Q, Das GP, Jena P. Magnetism in ZnO nanowire with Fe/Co codoping: First-principles density functional calculations Physical Review B. 81. DOI: 10.1103/PHYSREVB.81.235215  0.297
2010 Zhou J, Wang Q, Sun Q, Jena P. Electronic and magnetic properties of a BN sheet decorated with hydrogen and fluorine Physical Review B. 81. DOI: 10.1103/Physrevb.81.085442  0.333
2010 Wang Q, Sun Q, Jena P. Probing the existence of energetically degenerate cluster isomers by chemical tagging Applied Physics Letters. 97: 223104. DOI: 10.1063/1.3521282  0.34
2010 Li S, Willis M, Jena P. Reaction Intermediates during the Dehydrogenation of Metal Borohydrides: A Cluster Perspective Journal of Physical Chemistry C. 114: 16849-16854. DOI: 10.1021/Jp106638U  0.45
2010 Jiang ZP, Zhou X, Sun Q, Wang Q, Jena P. Geometry, Electronic Properties, and Hydrogen Adsorption Properties of Li3N-Based Nanostructures The Journal of Physical Chemistry C. 114: 19202-19205. DOI: 10.1021/JP1058403  0.306
2010 Koirala P, Willis M, Kiran B, Kandalam AK, Jena P. Superhalogen Properties of Fluorinated Coinage Metal Clusters The Journal of Physical Chemistry C. 114: 16018-16024. DOI: 10.1021/JP101807S  0.363
2010 Li S, Ahuja R, Moysés Araújo C, Johansson B, Jena P. Dehydrogenation associated with Ti catalyst in sodium alanate Journal of Physics and Chemistry of Solids. 71: 1073-1076. DOI: 10.1016/J.Jpcs.2010.03.009  0.327
2010 Dolotko O, Zhang H, Li S, Jena P, Pecharsky V. Mechanochemically driven nonequilibrium processes in MNH2–CaH2 systems (M=Li or Na) Journal of Alloys and Compounds. 506: 224-230. DOI: 10.1016/J.Jallcom.2010.06.181  0.288
2010 Joseph J, Behera S, Jena P. Electron affinities of d1 transition metal chloride clusters and onset of super halogen behavior Chemical Physics Letters. 498: 56-62. DOI: 10.1016/J.Cplett.2010.08.067  0.491
2010 Willis M, Götz M, Kandalam AK, Ganteför GF, Jena P. Hyperhalogene: eine neue Klasse stark elektronegativer Verbindungen Angewandte Chemie. 122: 9150-9154. DOI: 10.1002/ANGE.201002212  0.21
2009 Wang Q, Sun Q, Jena P, Kawazoe Y. Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes. Journal of Chemical Theory and Computation. 5: 374-9. PMID 26610111 DOI: 10.1021/ct800373g  0.356
2009 Kiran B, Kumar GG, Nguyen MT, Kandalam AK, Jena P. Origin of the unusual stability of B12 and B13(+) clusters. Inorganic Chemistry. 48: 9965-7. PMID 19785465 DOI: 10.1021/Ic901410H  0.361
2009 Wu MM, Sun Q, Wang Q, Jena P, Kawazoe Y. Doping induced anisotropic growth in C60. The Journal of Chemical Physics. 130: 184714. PMID 19449950 DOI: 10.1063/1.3134115  0.313
2009 Berseth PA, Harter AG, Zidan R, Blomqvist A, Araújo CM, Scheicher RH, Ahuja R, Jena P. Carbon nanomaterials as catalysts for hydrogen uptake and release in NaAlH4. Nano Letters. 9: 1501-5. PMID 19351192 DOI: 10.1021/Nl803498E  0.613
2009 Wang Q, Sun Q, Jena P, Kawazoe Y. Potential of AlN nanostructures as hydrogen storage materials. Acs Nano. 3: 621-6. PMID 19256516 DOI: 10.1021/nn800815e  0.387
2009 Li S, Jena P. Origin of the anatase to rutile conversion of metal-dopedTiO2 Physical Review B. 79. DOI: 10.1103/PhysRevB.79.201204  0.264
2009 Wang Q, Sun Q, Jena P, Kawazoe Y. Magnetic properties of transition-metal-dopedZn1−xTxO(T=Cr, Mn, Fe, Co, and Ni) thin films with and without intrinsic defects: A density functional study Physical Review B. 79. DOI: 10.1103/PHYSREVB.79.115407  0.29
2009 Wang Q, Sun Q, Jena P. N-doped ZnO thin films and nanowires: energetics, impurity distribution and magnetism New Journal of Physics. 11: 063035. DOI: 10.1088/1367-2630/11/6/063035  0.257
2009 Wang Q, Sun Q, Jena P, Kawazoe Y. Mg-doped GaN nanostructures: Energetics, magnetism, and H2 adsorption Applied Physics Letters. 94: 013108. DOI: 10.1063/1.3067836  0.25
2008 Sun Q, Wang Q, Jena P, Kawazoe Y. Design of Janus nanoparticles with atomic precision: tungsten-doped gold nanostructures. Acs Nano. 2: 341-7. PMID 19206636 DOI: 10.1021/nn7002647  0.394
2008 Kandalam AK, Jena P, Li X, Eustis SN, Bowen KH. Photoelectron spectroscopy and theoretical studies of [Co(m)(pyrene)(n)]- (m = 1,2 and n = 1,2) complexes. The Journal of Chemical Physics. 129: 134308. PMID 19045091 DOI: 10.1063/1.2982786  0.366
2008 Li X, Eustis S, Bowen KH, Kandalam AK, Jena P. Photoelectron spectroscopic and theoretical studies of Fe(m)-(coronene)n (m=1,2, n=1,2) complexes. The Journal of Chemical Physics. 129: 074313. PMID 19044773 DOI: 10.1063/1.2968609  0.374
2008 Larsson P, Araújo CM, Larsson JA, Jena P, Ahuja R. Role of catalysts in dehydrogenation of MgH2 nanoclusters. Proceedings of the National Academy of Sciences of the United States of America. 105: 8227-31. PMID 18550815 DOI: 10.1073/Pnas.0711743105  0.348
2008 Burgert R, Schnöckel H, Grubisic A, Li X, Stokes ST, Bowen KH, Ganteför GF, Kiran B, Jena P. Spin conservation accounts for aluminum cluster anion reactivity pattern with O2. Science (New York, N.Y.). 319: 438-42. PMID 18218890 DOI: 10.1126/Science.1148643  0.47
2008 Wang Q, Sun Q, Jena P, Kawazoe Y. Dependence of Magnetism on Doping Concentration in V-Doped Bulk ZnO Materials Transactions. 49: 2469-2473. DOI: 10.2320/MATERTRANS.MB200828  0.258
2008 Jena P, Harnish RL, Fischer J, Dresselhaus M. Global Views on Advancing Renewable Energies Mrs Bulletin. 33: 824-825. DOI: 10.1557/Mrs2008.175  0.221
2008 Wang Q, Sun Q, Chen G, Kawazoe Y, Jena P. Vacancy-induced magnetism in ZnO thin films and nanowires Physical Review B. 77. DOI: 10.1103/PHYSREVB.77.205411  0.229
2008 Li S, Jena P. Li- and B-decorated cis-polyacetylene: A computational study Physical Review B. 77. DOI: 10.1103/PHYSREVB.77.193101  0.202
2008 Kandalam AK, Chen G, Jena P. Unique magnetic coupling between Mn doped stannaspherenes Mn@Sn12 Applied Physics Letters. 92: 143109. DOI: 10.1063/1.2896608  0.269
2008 Kandalam AK, Kiran B, Jena P. Multidecker Organometallic Complexes for Hydrogen Storage Journal of Physical Chemistry C. 112: 6181-6185. DOI: 10.1021/Jp074759+  0.452
2007 Sun Q, Wang Q, Chen G, Jena P. Structure of SiAu16: can a silicon atom be stabilized in a gold cage? The Journal of Chemical Physics. 127: 214706. PMID 18067374 DOI: 10.1063/1.2804872  0.322
2007 Kiran B, Jena P, Li X, Grubisic A, Stokes ST, Ganteför GF, Bowen KH, Burgert R, Schnöckel H. Magic rule for Al(n)H(m) magic clusters. Physical Review Letters. 98: 256802. PMID 17678043 DOI: 10.1103/Physrevlett.98.256802  0.521
2007 Grubisic A, Li X, Stokes ST, Cordes J, Ganteför GF, Bowen KH, Kiran B, Jena P, Burgert R, Schnöckel H. Closo-alanes (Al4H4, AlnHn+2, 4 Journal of the American Chemical Society. 129: 5969-75. PMID 17439121 DOI: 10.1021/Ja0700404  0.485
2007 Kandalam AK, Kiran B, Jena P, Li X, Grubisic A, Bowen KH. Ground state structures and photoelectron spectroscopy of [Com(coronene)]- complexes. The Journal of Chemical Physics. 126: 084306. PMID 17343447 DOI: 10.1063/1.2437202  0.395
2007 Li X, Grubisic A, Stokes ST, Cordes J, Ganteför GF, Bowen KH, Kiran B, Willis M, Jena P, Burgert R, Schnöckel H. Unexpected stability of Al4H6: a borane analog? Science (New York, N.Y.). 315: 356-8. PMID 17234942 DOI: 10.1126/Science.1133767  0.39
2007 Hoang K, Mahanti SD, Jena P. Theoretical study of deep-defect states in bulk PbTe and in thin films Physical Review B. 76. DOI: 10.1103/Physrevb.76.115432  0.563
2007 Wang Q, Sun Q, Jena P, Kawazoe Y. Ferromagnetic to ferrimagnetic crossover in Cr-doped GaN nanohole arrays Physical Review B. 75. DOI: 10.1103/PHYSREVB.75.075312  0.228
2007 Wang Q, Sun Q, Jena P. Ab initiostudy of electronic and magnetic properties of the C-codopedGa1−xMnxN(101¯0)surface Physical Review B. 75. DOI: 10.1103/PHYSREVB.75.035322  0.294
2007 Moyśs Araújo C, Scheicher RH, Jena P, Ahuja R. On the structural and energetic properties of the hydrogen absorber Li2 Mg (NH)2 Applied Physics Letters. 91. DOI: 10.1063/1.2775803  0.615
2007 Wang Q, Sun Q, Jena P, Hu Z, Note R, Kawazoe Y. First-principles study of magnetic properties in V-doped ZnO Applied Physics Letters. 91: 063116. DOI: 10.1063/1.2768628  0.268
2007 Blomqvist A, Moysés Araújo C, Jena P, Ahuja R. Dehydrogenation from 3d-transition-metal-doped NaAlH4: Prediction of catalysts Applied Physics Letters. 90: 141904. DOI: 10.1063/1.2719244  0.255
2007 Sun Q, Reddy BV, Marquez M, Jena P, Gonzalez aC, Wang Q. Theoretical Study on Gold-Coated Iron Oxide Nanostructure: Magnetism and Bioselectivity for Amino Acids Journal of Physical Chemistry C. 111: 4159-4163. DOI: 10.1021/Jp067095X  0.381
2007 Sun Q, Wang Q, Jena P, Reddy BV, Marquez M. Hydrogen Storage in Organometallic Structures Grafted on Silsesquioxanes Chemistry of Materials. 19: 3074-3078. DOI: 10.1021/CM0627948  0.248
2007 Kandalam AK, Chatterjee B, Khanna S, Rao B, Jena P, Reddy B. Oxidation of CO on Fe2O3 model surfaces Surface Science. 601: 4873-4880. DOI: 10.1016/J.Susc.2007.08.015  0.358
2006 Sun Q, Jena P, Wang Q, Marquez M. First-principles study of hydrogen storage on Li12C60. Journal of the American Chemical Society. 128: 9741-5. PMID 16866529 DOI: 10.1021/ja058330c  0.416
2006 Jena P, Castleman AW. Clusters: a bridge across the disciplines of physics and chemistry. Proceedings of the National Academy of Sciences of the United States of America. 103: 10560-9. PMID 16835306 DOI: 10.1073/pnas.0601782103  0.329
2006 Castleman AW, Jena P. Clusters: a bridge across the disciplines of environment, materials science, and biology. Proceedings of the National Academy of Sciences of the United States of America. 103: 10554-9. PMID 16835305 DOI: 10.1073/pnas.0601780103  0.318
2006 Castleman AW, Jena P. Clusters: a bridge between disciplines. Proceedings of the National Academy of Sciences of the United States of America. 103: 10552-3. PMID 16835304 DOI: 10.1073/pnas.0601783103  0.337
2006 Kiran B, Kandalam AK, Jena P. Hydrogen storage and the 18-electron rule. The Journal of Chemical Physics. 124: 224703. PMID 16784297 DOI: 10.1063/1.2202320  0.331
2006 Sun Q, Rao BK, Jena P, Stolcic D, Kim YD, Gantefor G, Castleman AW. Appearance of bulk properties in small tungsten oxide clusters. The Journal of Chemical Physics. 121: 9417-22. PMID 15538861 DOI: 10.1063/1.1807374  0.493
2006 Sun Q, Jena P, Kim YD, Fischer M, Ganteför G. Interactions of Au cluster anions with oxygen. The Journal of Chemical Physics. 120: 6510-5. PMID 15267541 DOI: 10.1063/1.1666009  0.455
2006 Majumder C, Kandalam AK, Jena P. Structure and bonding ofAu5M(M=Na, Mg, Al, Si, P, and S) clusters Physical Review B. 74. DOI: 10.1103/PHYSREVB.74.205437  0.319
2006 Li S, Jena P, Ahuja R. Dehydrogenation mechanism in catalyst-activated Mg H2 Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.132106  0.312
2006 Li S, Jena P, Ahuja R. Effect of Ti and metal vacancies on the electronic structure, stability, and dehydrogenation of Na3 Al H6: Supercell band-structure formalism and gradient-corrected density-functional theory Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.214107  0.343
2006 Wang Q, Sun Q, Jena P, Kawazoe Y. Clustering of Cr in GaN nanotubes and the onset of ferrimagnetic order Physical Review B. 73. DOI: 10.1103/PHYSREVB.73.205320  0.321
2006 Sun Q, Kandalam AK, Wang Q, Jena P, Kawazoe Y, Marquez M. Effect of Au coating on the magnetic and structural properties of Fe nanoclusters for use in biomedical applications: A density-functional theory study Physical Review B. 73. DOI: 10.1103/PHYSREVB.73.134409  0.299
2006 Wang Q, Kandalam AK, Sun Q, Jena P. Ferromagnetism inAl1−xCrxNthin films by density functional calculations Physical Review B. 73. DOI: 10.1103/PHYSREVB.73.115411  0.259
2006 Das G, Rao B, Jena P, Kawazoe Y. Dilute magnetic III–V semiconductor spintronics materials: A first-principles approach Computational Materials Science. 36: 84-90. DOI: 10.1016/J.Commatsci.2005.07.004  0.398
2005 Chatterjee B, Reddy BV, Rao BK, Khanna SN, Jena P. Interaction of Pd and PdCl2 with cellulose: a theoretical investigation. The Journal of Physical Chemistry. B. 109: 23655-60. PMID 16375344 DOI: 10.1021/Jp052404P  0.354
2005 Wang Q, Sun Q, Jena P. Ferromagnetism in Mn-doped GaN nanowires. Physical Review Letters. 95: 167202. PMID 16241837 DOI: 10.1103/PHYSREVLETT.95.167202  0.353
2005 Sun Q, Wang Q, Jena P, Kawazoe Y. Clustering of Ti on a C60 surface and its effect on hydrogen storage. Journal of the American Chemical Society. 127: 14582-3. PMID 16231905 DOI: 10.1021/ja0550125  0.373
2005 Sun Q, Wang Q, Jena P. Storage of molecular hydrogen in B-N cage: energetics and thermal stability. Nano Letters. 5: 1273-7. PMID 16178223 DOI: 10.1021/NL050385P  0.328
2005 Wang Q, Sun Q, Jena P, Kawazoe Y. Ferromagnetic GaN--Cr Nanowires. Nano Letters. 5: 1587-90. PMID 16089493 DOI: 10.1021/NL051133R  0.32
2005 Sun Q, Wang Q, Rao BK, Jena P. Erratum: Electronic Structure and Bonding of Au on a SiO 2 Cluster: A Nanobullet for Tumors [ Phys. Rev. Lett. 93, 186803 (2004)] Physical Review Letters. 94: 49901. DOI: 10.1103/Physrevlett.94.049901  0.457
2005 Araújo CM, Li S, Ahuja R, Jena P. Vacancy-mediated hydrogen desorption inNaAlH4 Physical Review B. 72. DOI: 10.1103/Physrevb.72.165101  0.385
2005 Wang Q, Sun Q, Jena P, Yu JZ, Note R, Kawazoe Y. Ab initiostudy of ferromagnetism inGa1−xCrxNthin films Physical Review B. 72. DOI: 10.1103/PHYSREVB.72.045435  0.205
2005 Wang Q, Sun Q, Jena P, Kawazoe Y. Magnetic coupling between Cr atoms doped at bulk and surface sites of ZnO Applied Physics Letters. 87: 162509. DOI: 10.1063/1.2106023  0.306
2005 Wang Q, Sun Q, Jena P, Kawazoe Y. First-principles study of ferromagnetic coupling in Zn1−xCrxTe thin film Journal of Applied Physics. 97: 043904. DOI: 10.1063/1.1851013  0.206
2005 Sun Q, Rao BK, Jena P, Stolcic D, Kim YD, Gantefor G, Castleman AW. Erratum: “Appearance of bulk properties in small tungsten oxide clusters” [J. Chem. Phys. 121, 9417 (2004)] The Journal of Chemical Physics. 122: 069902. DOI: 10.1063/1.1843818  0.351
2004 Sun Q, Wang Q, Rao BK, Jena P. Electronic structure and bonding of Au on a SiO2 cluster: a nanobullet for tumors. Physical Review Letters. 93: 186803. PMID 15525192 DOI: 10.1103/Physrevlett.93.186803  0.51
2004 Wang Q, Sun Q, Jena P, Kawazoe Y. Antiferromagnetic coupling driven by bond length contraction near the Ga1-xMnxN film surface. Physical Review Letters. 93: 155501. PMID 15524900 DOI: 10.1103/Physrevlett.93.155501  0.427
2004 Kandalam AK, Rao BK, Jena P, Pandey R. Geometry and electronic structure of Vn(Bz)m complexes Journal of Chemical Physics. 120: 10414-10422. PMID 15268069 DOI: 10.1063/1.1738632  0.422
2004 Sun Q, Wang Q, Jena P. Comment on "Fully coordinated silica nanoclusters: (SiO2)N molecular rings". Physical Review Letters. 92: 039601; author reply. PMID 14753916 DOI: 10.1103/PHYSREVLETT.92.039601  0.255
2004 Buckart S, Ganteför G, Kim YD, Jena P. Anomalous behavior of atomic hydrogen interacting with gold clusters. Journal of the American Chemical Society. 125: 14205-9. PMID 14611259 DOI: 10.1021/Ja036544T  0.51
2004 Stolcic D, Fischer M, Ganteför G, Kim YD, Sun Q, Jena P. Direct observation of key reaction intermediates on gold clusters. Journal of the American Chemical Society. 125: 2848-9. PMID 12617631 DOI: 10.1021/Ja0293406  0.416
2004 Li S, Jena P, Araujo CM, Ahuja R. Electronic Structure and Hydrogen Desorption in NaAlH4 Mrs Proceedings. 837. DOI: 10.1557/Proc-837-N2.5  0.465
2004 Sun Q, Wang Q, Kawazoe Y, Jena P. Interaction of magic gold cluster with Si $_\mathsf{60}$ cage The European Physical Journal D - Atomic, Molecular and Optical Physics. 29: 231-234. DOI: 10.1140/Epjd/E2004-00019-1  0.459
2004 Sun Q, Wang Q, Jena P, Note R, Yu J, Kawazoe Y. Metastability of a gold nanoring: Density-functional calculations Physical Review B. 70. DOI: 10.1103/PHYSREVB.70.245411  0.286
2004 Khanna SN, Jena P, Zheng W, Nilles JM, Bowen KH. Spectroscopic signature of magnetic bistability inMn2O−anions and its implications for piezomagnetism at the nanoscale Physical Review B. 69. DOI: 10.1103/Physrevb.69.144418  0.36
2004 Sun Q, Wang Q, Kawazoe Y, Jena P. Soft breakdown of an insulating nanowire in an electric field Nanotechnology. 15: 260-263. DOI: 10.1088/0957-4484/15/3/004  0.379
2004 Wang Q, Jena P. First-principles study of magnetism in (112̄0) Zn1−xMnxO thin film Applied Physics Letters. 84: 4170-4172. DOI: 10.1063/1.1755834  0.222
2004 Kandalam AK, Rao BK, Jena P, Lilly AC. Binding of Butadiene Molecules Mediated by Ni Atom and Ni+ Ion Journal of Physical Chemistry A. 108: 5234-5241. DOI: 10.1021/Jp040009D  0.451
2004 Bertram N, Kim YD, Ganteför G, Sun Q, Jena P, Tamuliene J, Seifert G. Experimental and theoretical studies on inorganic magic clusters : M4X6 (M = W, Mo, X = O, S) Chemical Physics Letters. 396: 341-345. DOI: 10.1016/J.Cplett.2004.08.057  0.484
2004 Kim YD, Ganteför G, Sun Q, Jena P. Chemisorption of atomic and molecular oxygen on Au and Ag cluster anions: discrimination of different isomers Chemical Physics Letters. 396: 69-74. DOI: 10.1016/J.Cplett.2004.08.030  0.477
2004 Sun Q, Rao BK, Jena P, Stolcic D, Ganteför G, Kawazoe Y. Effect of sequential oxidation on the electronic structure of tungsten clusters Chemical Physics Letters. 387: 29-34. DOI: 10.1016/J.Cplett.2004.01.080  0.529
2004 Buckart S, Gantefoer G, Kim YD, Jena P. Anomalous Behavior of Atomic Hydrogen Interacting with Gold Clusters. Cheminform. 35. DOI: 10.1002/CHIN.200405003  0.361
2003 Sun Q, Wang Q, Jena P, Rao BK, Kawazoe Y. Stabilization of Si60 cage structure. Physical Review Letters. 90: 135503. PMID 12689303 DOI: 10.1103/Physrevlett.90.135503  0.299
2003 Rao BK, Jena P. Design of High-Energetic Materials at the Nanoscale Mrs Proceedings. 800. DOI: 10.1557/Proc-800-Aa7.2  0.427
2003 Sun Q, Wang Q, Jena P, Waterman S, Kawazoe Y. First-principles studies of the geometry and energetics of theSi36cluster Physical Review A. 67. DOI: 10.1103/Physreva.67.063201  0.427
2003 Wang Q, Sun Q, Rao BK, Jena P, Kawazoe Y. Nitrogen-induced magnetic transition in small chromium clusters The Journal of Chemical Physics. 119: 7124-7130. DOI: 10.1063/1.1607958  0.39
2003 Senapati L, Nayak SK, Rao BK, Jena P. Atomic structure, binding energy, and magnetic properties of iron atoms supported on a polyaromatic hydrocarbon The Journal of Chemical Physics. 118: 8671-8680. DOI: 10.1063/1.1568077  0.371
2003 Khanna S, Rao B, Jena P, Knickelbein M. Ferrimagnetism in Mn7 cluster Chemical Physics Letters. 378: 374-379. DOI: 10.1016/S0009-2614(03)01235-1  0.488
2003 Khanna S, Rao B, Jena P, Nayak S. Stability and magnetic properties of iron atoms encapsulated in Si clusters Chemical Physics Letters. 373: 433-438. DOI: 10.1016/S0009-2614(03)00511-6  0.39
2002 Sun Q, Wang Q, Kawazoe Y, Jena P. Design of a heterostructure peapod using magic silicon clusters Physical Review B. 66: 245425. DOI: 10.1103/Physrevb.66.245425  0.467
2002 Das GP, Rao BK, Jena P, Deevi SC. Electronic structure of substoichiometric Fe-Al intermetallics Physical Review B. 66. DOI: 10.1103/Physrevb.66.184203  0.359
2002 Rao BK, Jena P. Caging of Ni clusters by benzene molecules and its effect on the magnetism of Ni clusters The Journal of Chemical Physics. 116: 1343-1349. DOI: 10.1063/1.1429245  0.358
2001 Rao BK, Jena P, Burkart S, Ganteför G, Seifert G. AlH(3) and Al(2)H(6): magic clusters with unmagical properties. Physical Review Letters. 86: 692-5. PMID 11177914 DOI: 10.1103/Physrevlett.86.692  0.484
2001 Khanna SN, Beltran M, Jena P. Relationship between photoelectron spectroscopy and the magnetic moment of Ni7 clusters Physical Review B - Condensed Matter and Materials Physics. 64: 2354191-2354194. DOI: 10.1103/Physrevb.64.235419  0.409
2001 Rao BK, Ramos de Debiaggi S, Jena P. Structure and magnetic properties of Fe-Ni clusters Physical Review B. 64. DOI: 10.1103/Physrevb.64.024418  0.385
2001 Reddy BV, Deevi SC, Lilly AC, Jena P. Electronic structure of sub-stoichiometric iron aluminide clusters Journal of Physics: Condensed Matter. 13: 8363-8374. DOI: 10.1088/0953-8984/13/36/310  0.334
2001 Gutsev GL, Jena P, Zhai H, Wang L. Electronic structure of chromium oxides, CrOn− and CrOn (n=1–5) from photoelectron spectroscopy and density functional theory calculations The Journal of Chemical Physics. 115: 7935-7944. DOI: 10.1063/1.1405438  0.376
2001 Rao BK, Jena P. Energetics and electronic structure of carbon doped aluminum clusters The Journal of Chemical Physics. 115: 778-783. DOI: 10.1063/1.1379973  0.375
2001 Gutsev GL, Jena P, Rao BK, Khanna SN. Electronic structure and chemical bonding of 3d-metal dimers ScX, X = Sc-Zn Journal of Chemical Physics. 114: 10738-10748. DOI: 10.1063/1.1373693  0.399
2001 Khanna SN, Ashman C, Rao BK, Jena P. Geometry, electronic structure, and energetics of copper-doped aluminum clusters Journal of Chemical Physics. 114: 9792-9796. DOI: 10.1063/1.1367381  0.412
2001 Jena P, Khanna SN, Rao BK. The Role of Interface on the Properties of Cluster Assemblies Journal of Cluster Science. 12: 443-456. DOI: 10.1023/A:1012875329448  0.46
2001 Nayak S, Jena P, Stepanyuk V, Hergert W. Effect of atomic relaxation on the magnetic moment of Fe, Co, and Ni dimers supported on Cu(001) Surface Science. 491: 219-225. DOI: 10.1016/S0039-6028(01)01406-6  0.294
2001 Gutsev GL, Khanna SN, Jena P. Magnetic excitations of Co2 dimer Chemical Physics Letters. 345: 481-489. DOI: 10.1016/S0009-2614(01)00880-6  0.402
2001 Khanna SN, Jena P. Magnetic moment and photo-detachment spectroscopy of Ni5 clusters Chemical Physics Letters. 336: 467-472. DOI: 10.1016/S0009-2614(01)00152-X  0.496
2000 Gutsev GL, Khanna SN, Jena P. Unambiguous assignment of the ground state of a nearly degenerate cluster Physical Review B - Condensed Matter and Materials Physics. 62: 1604-1606. DOI: 10.1103/Physrevb.62.1604  0.371
2000 Gutsev GL, Rao BK, Jena P, Li X, Wang L. Experimental and theoretical study of the photoelectron spectra of MnOx−(x=1–3) clusters The Journal of Chemical Physics. 113: 1473-1483. DOI: 10.1063/1.481964  0.346
2000 Rao BK, Jena P. Alkalization of aluminum clusters The Journal of Chemical Physics. 113: 1508-1513. DOI: 10.1063/1.481937  0.332
2000 Gutsev GL, Rao BK, Jena P. Systematic Study of Oxo, Peroxo, and Superoxo Isomers of 3d-Metal Dioxides and Their Anions The Journal of Physical Chemistry A. 104: 11961-11971. DOI: 10.1021/Jp002252S  0.372
2000 Gutsev GL, Rao aBK, Jena P. Electronic Structure of the 3d Metal Monoxide Anions Journal of Physical Chemistry A. 104: 5374-5379. DOI: 10.1021/Jp000384F  0.434
2000 Reddy B, Jena P, Deevi S. Electronic structure and transport properties of Fe–Al alloys Intermetallics. 8: 1197-1207. DOI: 10.1016/S0966-9795(00)00075-3  0.282
2000 Pandey R, Rao B, Jena P, Newsam JM. Unique magnetic signature of transition metal atoms supported on benzene Chemical Physics Letters. 321: 142-150. DOI: 10.1016/S0009-2614(00)00287-6  0.394
1999 Reddy BV, Khanna SN, Jena P. Structure and magnetic ordering inCr8andCr13clusters Physical Review B. 60: 15597-15600. DOI: 10.1103/Physrevb.60.15597  0.449
1999 Reddy BV, Nayak SK, Khanna SN, Rao BK, Jena P. Electronic structure and magnetism ofRhn(n=2–13)clusters Physical Review B. 59: 5214-5222. DOI: 10.1103/Physrevb.59.5214  0.463
1999 Gutsev GL, Khanna SN, Rao BK, Jena P. FeO4:A unique example of a closed-shell cluster mimicking a superhalogen Physical Review A. 59: 3681-3684. DOI: 10.1103/Physreva.59.3681  0.477
1999 Gutsev GL, Jena P, Bartlett RJ. Search for “quadrupole-bound” anions. I The Journal of Chemical Physics. 111: 504-511. DOI: 10.1063/1.480262  0.391
1999 Rao BK, Jena P. Evolution of the electronic structure and properties of neutral and charged aluminum clusters: A comprehensive analysis The Journal of Chemical Physics. 111: 1890-1904. DOI: 10.1063/1.479458  0.455
1999 Gutsev GL, Jena P, Bartlett RJ. Thermodynamical stability of CH3ONO and CH3ONO−: A coupled-cluster and Hartree–Fock-density-functional-theory study The Journal of Chemical Physics. 110: 403-411. DOI: 10.1063/1.478072  0.355
1999 Gutsev GL, Jena P, Bartlett RJ. Structure and stability of the AlX and AlX− species The Journal of Chemical Physics. 110: 2928-2935. DOI: 10.1063/1.477936  0.332
1999 Rao BK, Khanna SN, Jena P. Designing New Materials Using Atomic Clusters Journal of Cluster Science. 10: 477-491. DOI: 10.1023/A:1021948806958  0.406
1999 Gutsev GL, Rao BK, Jena P. Photodecomposition of MnO4 - : A Theoretical Study Journal of Physical Chemistry A. 103: 10819-10824. DOI: 10.1021/Jp992731V  0.423
1999 Gutsev GL, Khanna SN, Rao BK, Jena P. Electronic Structure and Properties of FeOnand FeOn-Clusters The Journal of Physical Chemistry A. 103: 5812-5822. DOI: 10.1021/Jp9909006  0.5
1999 Gutsev GL, Rao B, Jena P, Wang X, Wang L. Origin of the unusual stability of MnO4− Chemical Physics Letters. 312: 598-605. DOI: 10.1016/S0009-2614(99)00976-8  0.474
1999 Nayak S, Rao B, Jena P, Li X, Wang L. Observation of a spin-protected high-energy isomer of Al4N− cluster Chemical Physics Letters. 301: 379-384. DOI: 10.1016/S0009-2614(99)00024-X  0.484
1998 Gutsev GL, Reddy BV, Khanna SN, Rao BK, Jena P. Optically induced magnetism in cobalt iron cyanide Physical Review B. 58: 14131-14134. DOI: 10.1103/Physrevb.58.14131  0.297
1998 Nayak SK, Khanna SN, Jena P. Evolution of bonding in AlnN clusters: A transition from nonmetallic to metallic character Physical Review B - Condensed Matter and Materials Physics. 57: 3787-3790. DOI: 10.1103/Physrevb.57.3787  0.534
1998 Gutsev GL, Jena P, Bartlett RJ. Two thermodynamically stable states inSiO−andPN− Physical Review A. 58: 4972-4974. DOI: 10.1103/Physreva.58.4972  0.306
1998 Nayak SK, Rao BK, Khanna SN, Jena P. Atomic and electronic structure of neutral and charged SinOm clusters Journal of Chemical Physics. 109: 1245-1250. DOI: 10.1063/1.476675  0.52
1998 Nayak SK, Jena P, Ball KD, Berry RS. Dynamics and instabilities near the glass transition: From clusters to crystals The Journal of Chemical Physics. 108: 234-239. DOI: 10.1063/1.475357  0.287
1998 Reddy BV, Nayak SK, Khanna SN, Rao BK, Jena P. Physics of Nickel Clusters. 2. Electronic Structure and Magnetic Properties The Journal of Physical Chemistry A. 102: 1748-1759. DOI: 10.1021/Jp980262B  0.496
1998 Weber SE, Reddy BV, Rao BK, Jena P. Chemically induced changes in the magnetic moments in transition metal monomers and dimers Chemical Physics Letters. 295: 175-180. DOI: 10.1016/S0009-2614(98)00947-6  0.461
1998 Gutsev GL, Jena P, Bartlett RJ. Structure and stability of BF3∗F and AlF3∗F superhalogens Chemical Physics Letters. 292: 289-294. DOI: 10.1016/S0009-2614(98)00716-7  0.339
1998 Gutsev GL, Jena P, Bartlett RJ. Electric quadrupole moments and electron affinities of atoms from H to Cl: a coupled-cluster study Chemical Physics Letters. 291: 547-552. DOI: 10.1016/S0009-2614(98)00616-2  0.404
1998 Nayak SK, Jena P. Anomalous Magnetism In Small Mn Clusters Chemical Physics Letters. 289: 473-479. DOI: 10.1016/S0009-2614(98)00475-8  0.52
1998 Reddy B, Jena P. Signature of crystalline order in ultra-small metal-oxide clusters Chemical Physics Letters. 288: 253-260. DOI: 10.1016/S0009-2614(98)00328-5  0.337
1997 Nayak SK, Weber SE, Jena P, Wildberger K, Zeller R, Dederichs PH, Stepanyuk VS, Hergert W. Relationship between magnetism, topology, and reactivity of Rh clusters Physical Review B. 56: 8849-8854. DOI: 10.1103/PHYSREVB.56.8849  0.337
1997 Nayak SK, Jena P, Stepanyuk VS, Hergert W, Wildberger K. Magic numbers in supported metal clusters Physical Review B. 56: 6952-6957. DOI: 10.1103/PHYSREVB.56.6952  0.345
1997 Zheng H, Rao BK, Khanna SN, Jena P. Electronic structure and binding energies of hydrogen-decorated vacancies in Ni Physical Review B - Condensed Matter and Materials Physics. 55: 4174-4181. DOI: 10.1103/Physrevb.55.4174  0.419
1997 Ashman C, Khanna SN, Liu F, Jena P, Kaplan T, Mostoller M. (BAl12)Cs:mA cluster-assembled solid Physical Review B. 55: 15868-15873. DOI: 10.1103/Physrevb.55.15868  0.485
1997 Weber SE, Rao BK, Jena P, Stepanyuk VS, Hergert W, Wildberger K, Zeller R, Dederichs PH. Magnetism of free and supported vanadium clusters Journal of Physics Condensed Matter. 9: 10739-10748. DOI: 10.1088/0953-8984/9/48/016  0.411
1997 Niu J, Rao BK, Jena P. Atomic and electronic structures of neutral and charged boron and boron-rich clusters The Journal of Chemical Physics. 107: 132-140. DOI: 10.1063/1.474360  0.418
1997 Nayak SK, Khanna SN, Rao BK, Jena P. Physics of nickel clusters: Energetics and equilibrium geometries Journal of Physical Chemistry A. 101: 1072-1080. DOI: 10.1021/Jp962720R  0.492
1997 Stepanyuk V, Hergert W, Wildberger K, Nayak S, Jena P. Magnetic bistability of supported Mn clusters Surface Science. 384: L892-L895. DOI: 10.1016/S0039-6028(97)00341-5  0.339
1997 Weber SE, Jena P. Isomerism of Ni cluster anions and its role on photo-detachment spectroscopy Chemical Physics Letters. 281: 401-406. DOI: 10.1016/S0009-2614(97)01269-4  0.457
1996 Jena P, Khanna SN, Rao BK. Designing clusters as superelements Surface Review and Letters. 3: 993-999. DOI: 10.1142/S0218625X96001789  0.48
1996 Nash BK, Rao BK, Jena P. Equilibrium structure and bonding of small iron–carbon clusters The Journal of Chemical Physics. 105: 11020-11023. DOI: 10.1063/1.472901  0.356
1996 Jena P, Khanna SN. Physics of cluster assembled materials Materials Science and Engineering A. 217: 218-222. DOI: 10.1016/S0921-5093(96)10361-0  0.386
1996 Nayak SK, Rao BK, Khanna SN, Jena P. Structural isomerism of niobium clusters and its role on reactivity Chemical Physics Letters. 259: 588-592. DOI: 10.1016/0009-2614(96)00830-5  0.465
1996 Nayak SK, Reddy B, Rao B, Khanna S, Jena P. Structure and properties of Ni7 cluster isomers Chemical Physics Letters. 253: 390-396. DOI: 10.1016/0009-2614(96)00299-0  0.469
1996 Liu F, Mostoller M, Kaplan T, Khanna S, Jena P. Evidence for a new class of solids. First-principles study of K(Al13) Chemical Physics Letters. 248: 213-217. DOI: 10.1016/0009-2614(95)01339-3  0.476
1995 Yussouff M, Rao B, Jena P. Reverse isotope effect on the superconductivity of PdH, PdD, and PdT Solid State Communications. 94: 549-553. DOI: 10.1016/0038-1098(94)00909-0  0.332
1994 Reddy B, Khanna S, Jena P, Press M, Jaswal S. Magnetic properties of transition metal superlattices Journal of Magnetism and Magnetic Materials. 130: 255-260. DOI: 10.1016/0304-8853(94)90681-5  0.3
1994 Khanna SN, Jena P. Designing ionic solids from metallic clusters Chemical Physics Letters. 219: 479-483. DOI: 10.1016/0009-2614(94)00097-2  0.42
1994 Khanna SN, Jena P. Reactivity of hydrogen with open and closed shell clusters Chemical Physics Letters. 218: 383-386. DOI: 10.1016/0009-2614(93)E1490-8  0.498
1993 Niu J, Rao BK, Jena P. Niu, Rao, and Jena reply. Physical Review Letters. 70: 3837-3837. PMID 10053978 DOI: 10.1103/Physrevlett.70.3837  0.279
1993 Liu F, Khanna SN, Magaud L, Jena P, de Coulon V, Reuse F, Jaswal SS, He X, Cyrot-Lackman F. Magnetism of Al-Mn quasicrystals. Physical Review. B, Condensed Matter. 48: 1295-1298. PMID 10007997 DOI: 10.1103/Physrevb.48.1295  0.502
1993 Khanna SN, Jena P. Assembling Crystals from Clusters Physical Review Letters. 71: 208-208. DOI: 10.1103/PHYSREVLETT.71.208.2  0.295
1993 Antonelli A, Khanna SN, Jena P. Interplanar relaxation at the (0001) surface of Be Surface Science. 289. DOI: 10.1016/0167-2584(93)90731-W  0.271
1993 Antonelli A, Khanna SN, Jena P. Surface science lettersInterplanar relaxation at the (0001) surface of Be Surface Science. 289. DOI: 10.1016/0039-6028(93)90879-O  0.371
1993 Manninen M, Mansikka-aho J, Khanna SN, Jena P. Band structures of solids composed of metal clusters Solid State Communications. 85: 11-14. DOI: 10.1016/0038-1098(93)90908-6  0.406
1992 Cai ZX, Mahanti SD, Antonelli A, Khanna SN, Jena P. Thermal stability and structural transition in Be microclusters. Physical Review. B, Condensed Matter. 46: 7841-7845. PMID 10002525 DOI: 10.1103/Physrevb.46.7841  0.602
1992 Rao BK, Jena P. Hydrogen Uptake by an Alkali Metal Ion Europhysics Letters (Epl). 20: 307-312. DOI: 10.1209/0295-5075/20/4/004  0.286
1992 Jena P, Khanna S, Rao B. CLUSTERS WITH NOVEL PROPERTIES International Journal of Modern Physics B. 6: 3657-3666. DOI: 10.1142/S0217979292001717  0.518
1992 Myers SM, Baskes MI, Birnbaum HK, Corbett JW, Deleo GG, Estreicher SK, Haller EE, Jena P, Johnson NM, Kirchheim R, Pearton SJ, Stavola MJ. Hydrogen interactions with defects in crystalline solids Reviews of Modern Physics. 64: 559-617. DOI: 10.1103/Revmodphys.64.559  0.276
1992 Rao BK, Khanna SN, Jena P. Role of excess electrons on the stability of metal-cluster hydrides Physical Review B. 45: 13631-13635. DOI: 10.1103/Physrevb.45.13631  0.505
1992 Khanna SN, Jena P. Novel phenomenon in charged clusters Nanostructured Materials. 1: 137-142. DOI: 10.1016/0965-9773(92)90066-7  0.331
1991 Manninen M, Jena P. Electronic Shell Structure and the Crystal Field Splitting in Simple Metals Clusters Europhysics Letters (Epl). 14: 643-648. DOI: 10.1209/0295-5075/14/7/006  0.416
1991 McMullen T, Jena P, Khanna SN. Screening of a Positive Muon by a Semion Gas International Journal of Modern Physics B. 5: 1579-1588. DOI: 10.1142/S0217979291001486  0.299
1991 Liu F, Khanna SN, Jena P. Magnetism in small vanadium clusters Physical Review B. 43: 8179-8182. DOI: 10.1103/Physrevb.43.8179  0.512
1991 Rao BK, Khanna SN, Jena P. Energetics and electronic structures of hydrogenated metal clusters Physical Review B. 43: 1416-1421. DOI: 10.1103/Physrevb.43.1416  0.518
1991 Niu J, Rao BK, Khanna SN, Jena P. The origin of anomalous bond dissociation energies of V+ (H2)n clusters Chemical Physics Letters. 230: 299-305. DOI: 10.1016/0009-2614(94)01166-4  0.462
1991 Magaud L, Khanna SN, Jena P. Limitation on the success of the jellium model for metal clusters Chemical Physics Letters. 183: 333-336. DOI: 10.1016/0009-2614(91)90387-O  0.381
1991 Rao BK, Khanna SN, Meng J, Jena P. Geometries and binding energies of small beryllium clusters using various levels of approximations for exchange and correlation: a comparative study Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 18: 171-174. DOI: 10.1007/Bf01437443  0.467
1990 Li Y, Press MR, Khanna SN, Jena P, Yussouff M. Energetics and electronic structure of In on a Cu(100) surface. Physical Review B. 41: 4930-4937. PMID 9994348 DOI: 10.1103/Physrevb.41.4930  0.359
1990 Jena P, Khanna SN, Rao BK, Manninen M. Clusters-a New Source for Atomically Engineered Materials Mrs Proceedings. 206. DOI: 10.1557/Proc-206-3  0.493
1990 Li Y, Khanna SN, Jena P. Comment on charge exchange and metastability of small multiply charged gold clusters Physical Review Letters. 64: 1188. DOI: 10.1103/Physrevlett.64.1188  0.396
1990 Rao BK, Khanna SN, Jena P. Clusters-A New Phase Of Matter Phase Transitions. 24: 35-60. DOI: 10.1080/01411599008210227  0.429
1990 Liu F, Khanna SN, Jena P. Effect of size and dimensionality on the magnetic moment of transition metals Journal of Applied Physics. 67: 4484-4486. DOI: 10.1063/1.344889  0.456
1990 Rao BK, Jena P. Molecular view of the interfacial adhesion in aluminum‐silicon carbide metal‐matrix composites Applied Physics Letters. 57: 2308-2310. DOI: 10.1063/1.103878  0.365
1990 Liu F, Khanna SN, Jena P. ab-initio tight-binding theory for the electronic structure Journal of Non-Crystalline Solids. 117: 297-299. DOI: 10.1016/0022-3093(90)90936-G  0.461
1990 Jena P, Khanna SN, Rao BK. Reaction-induced excitations of clusters Chemical Physics Letters. 171: 439-442. DOI: 10.1016/0009-2614(90)85243-6  0.398
1990 Press MR, Khanna SN, Jena P, Puska MJ. Energetics, electronic structure, and positron annihilation studies of carbon-vacancy complexes in iron Zeitschrift FüR Physik B Condensed Matter. 81: 281-289. DOI: 10.1007/Bf01309360  0.447
1989 Liu F, Press MR, Khanna SN, Jena P. Magnetism and local order: Ab initio tight-binding theory Physical Review B. 39: 6914-6924. DOI: 10.1103/Physrevb.39.6914  0.535
1989 Liu F, Rao BK, Khanna SN, Jena P. Nature of short range interaction between deuterium atoms in Pd Solid State Communications. 72: 891-894. DOI: 10.1016/0038-1098(89)90421-3  0.465
1988 Rao BK, Jena P. Electronic structure and geometries of heteroatomic clusters. Physical Review B. 37: 2867-2873. PMID 9944863 DOI: 10.1103/Physrevb.37.2867  0.52
1988 Khanna SN, Rao BK, Jena P, Esterling D, Puska MJ. Atomic relaxations around vacancy clusters in molybdenum and their effects on trapped-positron lifetime. Physical Review B. 37: 6-11. PMID 9943540 DOI: 10.1103/Physrevb.37.6  0.456
1988 Liu F, Press MR, Khanna SN, Jena P. Simple theory of electronic structure: Clusters to crystals Physical Review B. 38: 5760-5763. DOI: 10.1103/Physrevb.38.5760  0.526
1988 Rao BK, Jena P. Electron localization in anionic and cationic clusters International Journal of Quantum Chemistry. 34: 287-296. DOI: 10.1002/Qua.560340833  0.504
1988 Shillady DD, Jena P, Rao BK, Press MR. Theoretical study of the geometry of Mn5 International Journal of Quantum Chemistry. 34: 231-236. DOI: 10.1002/Qua.560340827  0.385
1987 Rao BK, Jena P, Manninen M, Nieminen RM. Spontaneous fragmentation of multiply charged metal clusters. Physical Review Letters. 58: 1188-1191. PMID 10034365 DOI: 10.1103/Physrevlett.58.1188  0.446
1987 Puska MJ, Nieminen RM, Jena P. Hydrogen and deuterium decoration of In-vacancy complexes in nickel. Physical Review. B, Condensed Matter. 35: 6059-6063. PMID 9940837 DOI: 10.1103/Physrevb.35.6059  0.362
1987 Liu F, Press MR, Khanna SN, Jena P. Stability of doubly charged transition-metal dimers Physical Review Letters. 59: 2562-2565. DOI: 10.1103/Physrevlett.59.2562  0.508
1987 Press MR, Khanna SN, Jena P. Electronic structure, magnetic behavior, and stability of Ni-P Physical Review B. 36: 5446-5453. DOI: 10.1103/Physrevb.36.5446  0.443
1986 Rao BK, Jena P. Modelling of metal clusters as fragments of crystalline solids Journal of Physics F: Metal Physics. 16: 461-472. DOI: 10.1088/0305-4608/16/4/010  0.346
1986 Rao BK, Jena P. Molecular cluster calculations of the electronic structure of lithium hydride Journal of Physics C: Solid State Physics. 19: 5167-5172. DOI: 10.1088/0022-3719/19/26/016  0.4
1986 Rao BK, Khanna SN, Jena P. AB initio studies of the electronic structure of micro-clusters Ultramicroscopy. 20: 51-54. DOI: 10.1016/0304-3991(86)90168-3  0.441
1986 Rao BK, Khanna SN, Jena P. Equilibrium geometries, magic numbers and electronic structure of small carbon clusters Solid State Communications. 58: 53-56. DOI: 10.1016/0038-1098(86)90886-0  0.436
1986 Rao BK, Khanna SN, Jena P. Structural and electronic properties of compound metal clusters Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 3: 219-222. DOI: 10.1007/Bf01384810  0.458
1985 Ponnambalam MJ, Jena P. Nuclear quadrupole interaction due to point defects in aluminum: Effect of host lattice structure. Physical Review B. 31: 5680-5686. PMID 9936561 DOI: 10.1103/Physrevb.31.5680  0.442
1985 Jena P, Rao BK. Positron annihilation in helium- and krypton-decorated microvoids in fcc metals. Physical Review B. 31: 5634-5641. PMID 9936557 DOI: 10.1103/Physrevb.31.5634  0.44
1985 Jena P, Nieminen RM, Puska MJ, Manninen M. Role of elastic and electronic interactions in trapping of hydrogen by impurities in transition metals Physical Review B. 31: 7612-7616. PMID 9935702 DOI: 10.1103/Physrevb.31.7612  0.426
1985 Rao BK, Khanna SN, Jena P. Equilibrium geometries of small metal clusters and their relationship to crystalline structure Solid State Communications. 56: 731-734. DOI: 10.1016/0038-1098(85)90789-6  0.497
1985 Rao BK, Jena P, Schillady DD, Hintermann A, Manninen M. Hartree-Fock interaction between a helium atom and lithium metal: A test for the effective medium theory Solid State Communications. 55: 725-727. DOI: 10.1016/0038-1098(85)90243-1  0.51
1985 Rao BK, Khanna SN, Jena P. Electronically driven magnetic transition and dimensionality crossover in Li4 clusters Chemical Physics Letters. 121: 202-204. DOI: 10.1016/0009-2614(85)85510-X  0.428
1984 Jena P. Electronic Structure of Decorated Defects in Metals Materials Science Forum. 2: 27-47. DOI: 10.4028/www.scientific.net/MSF.2.27  0.318
1984 Rao BK, Jena P, Manninen M. Effect of Symmetry Breaking on Hydrogen Site Preference in Small Metal Clusters Physical Review Letters. 53: 2300-2303. DOI: 10.1103/Physrevlett.53.2300  0.39
1984 Rao BK, Jena P, Shillady DD. Structural properties of microcrystallites Physical Review B. 30: 7293-7296. DOI: 10.1103/Physrevb.30.7293  0.485
1984 Jena P, Taggart GB, Rao BK. Theory of fractional Knight shift in liquid binary alloys Physical Review B. 30: 6826-6833. DOI: 10.1103/PhysRevB.30.6826  0.223
1984 Jena P, Manninen M, Nieminen RM, Puska MJ. Erratum: Muon states in uniaxially strained iron Physical Review B. 30: 1566-1566. DOI: 10.1103/Physrevb.30.1566.2  0.309
1984 Manninen M, Puska MJ, Nieminen RM, Jena P. Electronically induced trapping of hydrogen by impurities in niobium Physical Review B. 30: 1065-1068. DOI: 10.1103/Physrevb.30.1065  0.317
1984 Jena P, Manninen M, Nieminen RM, Puska MJ. Muon states in uniaxially strained iron Physical Review B. 29: 4170-4172. DOI: 10.1103/Physrevb.29.4170  0.31
1984 Jena P, Jones J, Nieminen RM. Effect of zero-point motion on the superconducting transition temperature of PdH(D) Physical Review B. 29: 4140-4143. DOI: 10.1103/Physrevb.29.4140  0.27
1984 Jena P, Esterling DM, Manninen M. Charge densities, interionic potentials and phonon frequencies in Al Journal of Physics F: Metal Physics. 14: 2017-2025. DOI: 10.1088/0305-4608/14/9/009  0.253
1984 Ponnambalam MJ, Jena P. Effect of crystal potential on electric field gradient calculations due to impurities in cubic metals Solid State Communications. 52: 411-415. DOI: 10.1016/0038-1098(84)90025-5  0.435
1984 Shillady DD, Jena P. Cluster calculations of the interactions of μ+ with lattice defects in Li Hyperfine Interactions. 17: 247-253. DOI: 10.1007/BF02065910  0.385
1984 Ponnambalam MJ, Jena P. Distribution of electric field gradients around impurities in aluminum Hyperfine Interactions. 20: 65-117. DOI: 10.1007/BF02059483  0.209
1982 Jena P, Ponnambalam MJ. Positron annihilation as a probe for impurities trapped by vacancy clusters Physical Review B. 26: 5264-5267. DOI: 10.1103/PhysRevB.26.5264  0.348
1981 P. Das M, Jena P, A. Ponnambalam M. Screening of an Atomic Impurity in Electron Liquid Journal of the Physical Society of Japan. 50: 2413-2416. DOI: 10.1143/JPSJ.50.2413  0.311
1981 Ponnambalam MJ, Jena P. Theory of Electric Field Gradient Due to a Point Defect in a Cubic Metal Physical Review Letters. 46: 610-614. DOI: 10.1103/PhysRevLett.46.610  0.272
1981 Manninen M, Jena P, Nieminen RM, Lee JK. Ab initiocalculation of interatomic potentials and electronic properties of a simple metal—Al Physical Review B. 24: 7057-7070. DOI: 10.1103/Physrevb.24.7057  0.413
1981 Jena P, Ponnambalam MJ, Manninen M. Positron annihilation in metal-vacancy—hydrogen complexes Physical Review B. 24: 2884-2887. DOI: 10.1103/PhysRevB.24.2884  0.255
1981 Jena P, Rath J. Ab initio calculation of the temperature dependence of the electric field gradient in Be Physical Review B. 23: 3823-3827. DOI: 10.1103/Physrevb.23.3823  0.378
1981 Jena P, Manninen M. Theory of impurity hyperfine field systematics in ferromagnetic hosts Hyperfine Interactions. 9: 405-408. DOI: 10.1007/BF01020952  0.248
1980 Jena P, Satterthwaite CB. Isotope Effect on The Electronic Structure of Hydrogen in Metals Mrs Proceedings. 3. DOI: 10.1557/PROC-3-547  0.332
1980 Manninen M, Jena P. Volume dependence of the magnetic properties of alkali metals Journal of Physics F: Metal Physics. 10: 1567-1573. DOI: 10.1088/0305-4608/10/7/023  0.292
1980 Manninen M, Jena P. Temperature dependence of impurity resistivity due to hydrogen in metals Solid State Communications. 34: 179-182. DOI: 10.1016/0038-1098(80)91141-2  0.269
1979 Jena P, Fradin FY, Ellis DE. Models of electronic structure of hydrogen in metals: Pd-H Physical Review B. 20: 3543-3551. DOI: 10.1103/PhysRevB.20.3543  0.298
1979 Burch TJ, Raj K, Jena P, Budnick JI, Niculescu V, Muir WB. Hyperfine-field distribution inFe3Si1−xAlxalloys and a theoretical interpretation Physical Review B. 19: 2933-2938. DOI: 10.1103/Physrevb.19.2933  0.264
1979 Rath J, Manninen M, Jena P, Wang C. Effect of zero point motion on the hyperfine field at an interstitial positive muon site in ferromagnetic Ni Solid State Communications. 31: 1003-1007. DOI: 10.1016/0038-1098(79)90019-X  0.229
1979 Jena P. Electronic structure of hydrogen-like impurities in nearly-free-electron metals Hyperfine Interactions. 6: 5-14. DOI: 10.1007/BF01028761  0.348
1979 JENA P. ChemInform Abstract: ELECTRONIC STRUCTURE OF HYDROGEN-LIKE IMPURITIES IN NEARLY FREE-ELECTRON METALS Chemischer Informationsdienst. 10. DOI: 10.1002/chin.197939316  0.349
1978 Jena P, Das SG, Singwi KS. Electric-Field Gradient at Cu Nuclei Due to an Interstitial Positive Muon Physical Review Letters. 40: 264-266. DOI: 10.1103/PhysRevLett.40.264  0.201
1978 Jena P, Emmons R, Lam DJ, Ray DK. Conduction-electron polarization in intermetallic actinide compounds Physical Review B. 18: 3562-3567. DOI: 10.1103/PhysRevB.18.3562  0.254
1978 Boolchand P, Tenhover M, Jena P. I129 magnetic hyperfine structure in the Heusler alloys Pd2MnSb and PdMnSb Physical Review B. 18: 3393-3399. DOI: 10.1103/PhysRevB.18.3393  0.272
1978 Gupta AK, Jena P, Singwi KS. Nonlinear electron-density distribution around point defects in simple metals. I. Formulation Physical Review B. 18: 2712-2722. DOI: 10.1103/PhysRevB.18.2712  0.301
1978 Jena P, Singwi KS. Electronic structure of hydrogen in simple metals Physical Review B. 17: 3518-3524. DOI: 10.1103/PhysRevB.17.3518  0.337
1978 Jena P, Singwi KS, Nieminen RM. Self-consistent screening of a positive muon in a spin-polarized electron gas Physical Review B. 17: 301-307. DOI: 10.1103/Physrevb.17.301  0.351
1978 Jena P, Singwi KS. Heat of solution of hydrogen in Al and Mg Physical Review B. 17: 1592-1595. DOI: 10.1103/PhysRevB.17.1592  0.22
1978 Jena P. Temperature dependence of electric field gradient and Knight shift in Mg Physical Review B. 17: 1046-1051. DOI: 10.1103/PhysRevB.17.1046  0.211
1978 Jena P, Lam DJ. Systematics in the Knight shift of rare-earth monopnictides Physical Review B. 17: 1-5. DOI: 10.1103/PhysRevB.17.1  0.204
1978 Jena P, Geldart D. Hyperfine field systematics of nonmagnetic ions in ferromagnetic alloys Journal of Magnetism and Magnetic Materials. 8: 99-111. DOI: 10.1016/0304-8853(78)90109-9  0.248
1978 Jena P. On the feasibility of using positive muons as probes of defect structure Solid State Communications. 27: 1249-1253. DOI: 10.1016/0038-1098(78)91153-5  0.217
1977 Jena P. Positive muon as a probe of magnetization density in ferromagnetic metal vacancies Physics Letters A. 60: 50-52. DOI: 10.1016/0375-9601(77)90317-6  0.302
1977 Jena P, Gupta AK, Singwi KS. Positron annihilation in small metal voids Solid State Communications. 21: 293-296. DOI: 10.1016/0038-1098(77)90190-9  0.262
1976 Jena P. Temperature Dependence of Electric Field Gradients in Noncubic Metals Physical Review Letters. 36: 418-421. DOI: 10.1103/PhysRevLett.36.418  0.25
1976 Bergersen B, Rostworowski JA, Eswaran M, Parsons RR, Jena P. Electron-hole droplets and impurity band states in heavily doped Si(P): Photoluminescence experiments and theory Physical Review B. 14: 1633-1648. DOI: 10.1103/Physrevb.14.1633  0.313
1976 Jena P. Theory of spin polarization around an interstitial positive muon in ferromagnetic materials Solid State Communications. 19: 45-48. DOI: 10.1016/0038-1098(76)91725-7  0.241
1975 Holtham PM, Jena P. Bloch enhancement of the nuclear quadrupole interaction in aluminium alloys Journal of Physics F: Metal Physics. 5: 1649-1662. DOI: 10.1088/0305-4608/5/8/023  0.214
1975 Bergersen B, Jena P, Berlinsky AJ. Electron-hole liquid in heavily doped n-type ge and si Journal of Physics C: Solid State Physics. 8: 1377-1386. DOI: 10.1088/0022-3719/8/9/009  0.337
1975 Boolchand P, Tenhover M, Jha S, Langouche G, Triplett BB, Hanna SS, Jena P. Magnetic hyperfine structure of 125Te in ferromagnetic Pd2MnSb Physics Letters A. 54: 293-294. DOI: 10.1016/0375-9601(75)90264-9  0.236
1974 Bergersen B, Jena P, McMullen T. On the x-ray edge anomalies in Li Journal of Physics F: Metal Physics. 4. DOI: 10.1088/0305-4608/4/10/004  0.276
1974 Jena P, Geldart D. Interpretation of hyperfine fields in concentrated ferromagnetic alloys Solid State Communications. 15: 139-142. DOI: 10.1016/0038-1098(74)90726-1  0.225
1973 Jena P, Geldart DJW. Electron Distribution around a Magnetic Impurity in a Nonmagnetic Host Physical Review B. 7: 439-450. DOI: 10.1103/Physrevb.7.439  0.276
1972 Smith WR, Jena P. Statistical-mechanical perturbation theory for liquid metals Physics Letters A. 41: 200-202. DOI: 10.1016/0375-9601(72)90258-7  0.301
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