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| # | BibID / Title / Authors / Citation (Last-to-first, with Journals alphabetically sorted) |
| 001 |
BZPK2012 |
PDF Effect Of Electric Field On The Band Structure Of Graphene/boron Nitride And Boron Nitride/boron Nitride Bilayers R. Balu, X. Zhong, R. Pandey, S. P. Karna Appl. Phys. Lett., 100, 52104 (2012) |
| 002 |
ZPK2012 |
PDF Stacking Dependent Electronic Structure And Transport In Bilayer Graphene Nanoribbons X. Zhong, R. Pandey, S. P. Karna Carbon, 50, 784 (2012) |
| 003 |
MPK2012 |
PDF Controlling The Performance Of A Three-Terminal Molecular Transistor: Conformational Versus Conventional Gating S. Mukhopadhyay, R. Pandey, S. P. Karna J. Phys. Chem. C, 116, 4840 (2012) |
| 004 |
KGP2012 |
PDF Electronic Structure Calculations Of Substitutional And Interstitial Hydrogen In Nb P. Khowash, S. Gowtham, R. Pandey Solid State Communications, 152, 788 (2012) |
| 005 |
BP2012 |
PDF The Route To Highly Stable MeBxNyCz Molecular Wheels. I. The Features Of Preliminary Results I. Boustani, R. Pandey Solid State Sciences, 1, 1 (2012) |
| 006 |
SJMDPHK2011 |
PDF First-Principles Study Of Nanoparticle-Biomolecular Interactions: Anchoring Of A (ZnO)12 Cluster On Nucleobases V. Shewale, P. Joshi, S. Mukhopadhyay, M. Deshpande, R. Pandey, S. Hussain, S. P. Karna J. Phys. Chem. C, 115, 10426 (2011) |
| 007 |
ZZVPLGL2011 |
PDF One-pot Efficient Synthesis Of Dimeric, Trimeric, And Tetrameric BODIPY Dyes For Panchromatic Absorption S. Zhu, J. Zhang, G. K. Vegesna, R. Pandey, F. T. Luo, S. A. Greena, H. Liu Chem Comm, 47, 3508 (2011) |
| 008 |
SDGARAP2011 |
PDF Electronic And Optical Modeling Of Solar Cell Compounds CuGaSe2 And CuInSe2 A. Soni, A. Dashora, V. Gupta, C. M. Arora, M. Rerat, B. L. Ahuja, R. Pandey J. of ELECTRONIC MATERIALS, 40, 2197 (2011) |
| 009 |
WZWSPJ2011 |
PDF Anisotropy And Transport Properties Of Tubular C-BN Janus Nanostructures M. M. Wu, X. Zhong, Q. Wang, Q. Sun, R. Pandey, P. Jena J. Phys. Chem. C, 115, 23978 (2011) |
| 010 |
JSPSHK2011 |
PDF Tryptophan-Gold Nanoparticle Interaction: A First-Principles Quantum Mechanical Study P. Joshi, V. Shewale, R. Pandey,V. Shanker, S. Hussain, S. P. Karna J. Phys. Chem. C, 115, 22818 (2011) |
| 011 |
MSPK2011 |
PDF Sensitivity Of Boron Nitride Nanotubes Toward Biomolecules Of Different Polarities S. Mukhopadhyay, R. H. Scheicher, R. Pandey, S. P. Karna J. Phys. Chem. Lett, 2, 2442 (2011) |
| 012 |
ZYPK2011 |
PDF First-principles Study Of Strain-induced Modulation Of Energy Gaps Of Graphene/BN And BN Bilayers X. Zhong, Y. K. Yap, R. Pandey, S. P. Karna Phys. Rev. B, 83, 193403 (2011) |
| 013 |
GSPKD2011 |
PDF Elastic Properties Of MgxTi1-xB2 (0≤x≥) Studied By First Principles Calculations D. Groh, W. J. Slough, R. Pandey, S. P. Karna, D. Dandekar Phys. Rev. B, 83, 115122 (2011) |
| 014 |
SKP2010 |
PDF Reactivity Of Neutral And Charged B13 Clusters With O2: A Theoretical Study W. J. Slough, A. K. Kandalam, R. Pandey J. Chem. Phys., 132, 104304 (2010) |
| 015 |
RDP2010 |
PDF Theoretical Study Of Small Clusters Of Manganese–doped Gallium Oxide: Mn(GaO)n And Mn2(GaO)n With N = 1 – 7 A. Rahane, M. Deshpande, R. Pandey J. Nanopart. Res., 12, 1 (2010) |
| 016 |
OMHGPB2010 |
PDF The Unusually Stable B100 Fullerene, Structural Transitions In Boron Nanostructures, And A Comparative Study Of α- And γ-Boron And Sheets C. Özdogan, S. Mukhopadhyay, W. Hayami, Z. B. Güvenc, R. Pandey, I. Boustani J. Phys. Chem. C, 114, 4362 (2010) |
| 017 |
HPBK2010 |
PDF Metal–like Electrical Conductance In Boron Fullerenes H. He, R. Pandey, I. Boustani, S. P. Karna J. Phys. Chem. C, 114, 4149 (2010) |
| 018 |
ZPRK2010_0 |
PDF Can Single-Atom Change Affect Electron Transport Properties Of Molecular Nanostructures Such As C60 Fullerene? X. Zhong, R. Pandey, A. R. Rocha, S. P. Karna J. Phys. Chem. Lett., 1, 1584 (2010) |
| 019 |
MGPC2010 |
PDF Theoretical Study Of Small Clusters Of Indium Oxide: InO, In2O; InO2; In2O2 S. Mukhopadhyay, S. Gowtham, R. Pandey, A. Costales Journal of Molecular Structure: THEOCHEM, 948, 31 (2010) |
| 020 |
MGSPK2010 |
PDF Theoretical Study Of Physisorption Of Nucleobases On Boron Nitride Nanotubes: A New Class Of Hybrid Nano–biomaterials S. Mukhopadhyay, S. Gowtham, R. H. Scheicher, R. Pandey, S. P. Karna Nanotechnology, 21, 165703 (2010) |
| 021 |
JSPSHK2010 |
PDF Site Specific Interaction Between ZnO Nanoparticles And Tryptophan: A First Principles Quantum Mechanical Study P. Joshi, V. Shewale, R. Pandey, V. Shankar, S. Hussain, S. P. Karna Phys. Chem. Chem. Phys, 13, 476 (2010) |
| 022 |
HPRKK2009 |
PDF Highly Efficient (Cs8V) Superatom-Based Spin-Polarizer H. He, R. Pandey, J. U. Reveles, S. N. Khanna, S. P. Karna Appl. Phys. Lett., 95, 192104 (2009) |
| 023 |
SMBKBP2009 |
PDF Study Of Photoluminescence Quenching And DC Conductivity Measurements In Polymer–SWNT Composite Films For Various SWNT Concentrations I. Singh, P. C. Mathur, P. K. Bhatnagar, I. Kaur, L. M. Bharadwaji, R. Pandey Int. J. Nanotechnol, 0, 743 (2009) |
| 024 |
MKHP2009 |
PDF Length–Dependence Of Electron Transfer Coupling Matrix In Polyene Wires: Ab Initio Molecular Orbital Theory Study G. Mallick, S. P. Karna, H. He, R. Pandey International Journal of Quant, 109, 1302 (2009) |
| 025 |
HPMK2009 |
PDF Asymmetric Currents In A Donor-Bridge-Acceptor Single Molecule: Revisit Of The Aviram-Ratner Diode H. He, R. Pandey, G. Mallick, S. P. Karna J. Phys. Chem. C, 113, 1575 (2009) |
| 026 |
LOP2009 |
PDF Structure And Stability Of Mg–intercalated Boron Nanotubes And Crystalline Bundles K. C. Lau, R. Orlando, R. Pandey J. Phys.: Condens. Matter, 21, 45304 (2009) |
| 027 |
GPSABR2009 |
PDF First–principles Study Of The Optical Properties Of BeO In Its Ambient And High–pressure Phases D. Groh, R. Pandey, M. B. Sahariah, E. Amzallag, I. Baraille, M. Rérat Journal of Physics and Chemistry of Solids, 70, 789 (2009) |
| 028 |
MHPYB2009 |
PDF Novel Spherical Boron Clusters And Structural Transition From 2D Quasi–planar Structures To 3D Double–rings S. Mukhopadhyay, H. He, R. Pandey, Y. K. Yap, I. Boustani Journal of Physics: Conf. Seri, 176, 12028 (2009) |
| 029 |
VHMCP2009 |
PDF Nitrogen Vacancy And Oxygen Impurity In AlN: Spintronic Quantum Dot J. M. Vaila, T. Haroonc, J. Hernandez-Melgara, D. K. Chevrierd, R. Pandey Radiation Effects & Defects in, 164, 585 (2009) |
| 030 |
SCFPBLHP2008 |
PDF Buckling In Wurtzite–like AlN Nanostructures And Crystals: Why Nano Can Be Different C. J. F. Solano, A. Costales, E. Francisco, A. M. Pendás, M. A. Blanco, K. C. Lau, H. He, R. Pandey Comput Model Eng Sci, 24, 2 (2008) |
| 031 |
LHPHK2008 |
PDF Interaction Of Metallic Nanoparticles With A Biologically Active Molecule, Dopamine C. Liu, H. He, R. Pandey, S. Hussain, S. P. Karna J. Phys. Chem. B, 112, 15256 (2008) |
| 032 |
DSAP2008 |
PDF Binding Strength Of Sodium Ions In Cellulose For Different Water Contents M. D. Deshpande, R. H. Scheicher, R. Ahuja, R. Pandey J. Phys. Chem. B, 112, 8985 (2008) |
| 033 |
HSPRSGAK2008 |
PDF Functionalized Nanopore–Embedded Electrodes For Rapid DNA Sequencing H. He, R. H. Scheicher, R. Pandey, A. R. Rocha, S. Sanvito, A. Grigoriev, R. Ahuja, S. P. Karna J. Phys. Chem. C, 112, 3456 (2008) |
| 034 |
LOP2008 |
PDF First–Principles Study Of Crystalline Bundles Of Single–Walled Boron Nanotubes With Small Diameter K. C. Lau, R. Orlando, R. Pandey J. Phys.: Condens. Matter, 20, 125202 (2008) |
| 035 |
HPK2008 |
PDF Electronic Conduction In A Model Three–Terminal Molecular Transistor H. He, R. Pandey, S. P. Karna Nanotechnology, 19, 505203 (2008) |
| 036 |
GSPKR2008 |
PDF First-Principles Study Of Physisorption Of Nucleic Acid Bases On Small-Diameter Carbon Nanotubes S. Gowtham, R. H. Scheicher, R. Pandey, S. P. Karna, R. Ahuja Nanotechnology, 19, 125701 (2008) |
| 037 |
HPK2007 |
PDF Electronic Structure Mechanism Of Spin-Polarized Electron Transport In A Ni-C60-Ni System H. He, R. Pandey, S. P. Karna Chem. Phys. Lett., 439, 110 (2007) |
| 038 |
LP2007 |
PDF Stability And Electronic Properties Of Atomistically-Engineered 2D Boron Sheets K. C. Lau, R. Pandey J. Phys. Chem. C, 111, 2906 (2007) |
| 039 |
GSAPK2007 |
PDF Physisorption Of Nucleobases On Graphene: Density Functional Calculations S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey, S. P. Karna Phys. Rev. B, 76, 33401 (2007) |
| 040 |
HBP2006 |
PDF Electronic And Thermodynamic Properties Of β Ga2O3 H. He, M. A. Blanco, R. Pandey Appl. Phys. Lett., 88, 261904 (2006) |
| 041 |
LPPK2006 |
PDF Theoretical Study Of Electron Transport In Boron Nanotubes K. C. Lau, R. Pandey, R. Pati, S. P. Karna Appl. Phys. Lett., 88, 212111 (2006) |
| 042 |
GCP2006 |
PDF Theoretical Study Of Sequential Oxidation Of Clusters Of Gallium Oxide: Ga3On (n: 4-8) S. Gowtham, A. Costales, R. Pandey Chem. Phys. Lett., 431, 358 (2006) |
| 043 |
HPKCPL2006 |
PDF Theoretical Study Of Molecule Mediated Spin-Polarized Electron Tunneling Between Magnetic Materials H. He, R. Pandey, S. P. Karna Chem. Phys. Lett., 428, 411 (2006) |
| 044 |
LPPP2006 |
PDF First-Principles Study Of The Stability And Electronic Properties Of Sheets And Nanotubes Of Elemental Boron K. C. Lau, R. Pati, R. Pandey, A. C. Pineda Chem. Phys. Lett., 418, 549 (2006) |
| 045 |
DKP2006 |
PDF Structural And Electronic Properties Of Neutral And Ionic GanOn Clusters With N=4-7 M. D. Deshpande, D. G. Kanhere, R. Pandey J. Phys. Chem. A, 110, 3814 (2006) |
| 046 |
CBFPP2006 |
PDF First Principles Study Of Neutral And Anionic (Medium-Size) Aluminum Nitride Clusters: AlnNn, N=7-16 A. Costales, M. A. Blanco, E. Francisco, A. M. Pendás, R. Pandey J. Phys. Chem. B, 110, 4092 (2006) |
| 047 |
VCPB2006 |
PDF The Nitrogen Vacancy In Aluminum Nitride J. M. Vail, D. K. Chevrier, R. Pandey, M. A. Blanco J. Phys.: Condens. Matter, 18, 2125 (2006) |
| 048 |
HOBPABR2006 |
PDF First-Principles Study Of The Structural, Electronic, And Optical Properties Of Ga2O3 In Its Monoclinic And Hexagonal Phases H. He, R. Orlando, M. A. Blanco, R. Pandey, E. Amzallag, I. Baraille, M. Rérat Phys. Rev. B, 74, 195123 (2006) |
| 049 |
HPPK2006 |
PDF Spin-Polarized Electron Transport Of A Self-Assembled Organic Monolayer On A Ni(111) Substrate: An Organic Spin Switch H. He, R. Pandey, R. Pati, S. P. Karna Phys. Rev. B, 73, 195311 (2006) |
| 050 |
HPKIEEE2006 |
PDF Spin-Polarized Electron Transport Via A C60 Molecule H. He, R. Pandey, S. P. Karna Proceedings of 2006 6th IEEE C, 2, 830 (2006) |
| 051 |
PPPK2005 |
PDF Ab Initio Quantum Chemical Study Of Electron Transfer In Carboranes R. Pati, A. C. Pineda, R. Pandey, S. P. Karna Chem. Phys. Lett., 406, 483 (2005) |
| 052 |
LP2005 |
PDF The 2D-3D Structural Transition And Chemical Bonding In Elemental Boron Nanoclusters K. C. Lau, R. Pandey CoLe, 1, 1 (2005) |
| 053 |
LDPP2005 |
PDF A Theoretical Study Of Electronic And Vibrational Properties Of Neutral, Cationic, And Anionic B24 Clusters K. C. Lau, M. D. Deshpande, R. Pati, R. Pandey Int. J. Quantum Chem., 103, 866 (2005) |
| 054 |
LDP2005 |
PDF A Theoretical Study Of Vibrational Properties Of Neutral And Cationic B12 Clusters K. C. Lau, M. D. Deshpande, R. Pandey Int. J. Quantum Chem., 102, 656 (2005) |
| 055 |
HDBPP2005 |
PDF Molecular Modeling Of Water Diffusion In Amorphous SiC H. He, M. D. Deshpande, R. E. Brown, R. Pandey, U. C. Pernisz J. Appl. Phys., 98, 23159 (2005) |
| 056 |
BJKLPS2005 |
PDF Reexamination Of The Structure Of MoO(O2)2(H2O)(hmpa), Hmpa = Hexamethylphosphoramide By Crystallographic And Theoretical Means C. A. Bayse, A. Jimtaisong, A. K. Kandalam, R. L. Luck, R. Pandey, M. J. Stevens J. Mol. Struc., 754, 96 (2005) |
| 057 |
GDCP2005 |
PDF Structural, Energetic, Electronic, Bonding, And Vibrational Properties Of Ga3O, Ga3O2, Ga3O3, Ga2O3, And GaO3 Clusters S. Gowtham, M. D. Deshpande, A. Costales, R. Pandey J. Phys. Chem. B, 109, 14836 (2005) |
| 058 |
CBFPP2005 |
PDF Evolution Of The Properties Of AlnNn Clusters With Size A. Costales, M. A. Blanco, E. Francisco, R. Pandey, A. M. Pendás J. Phys. Chem. B, 0, 0 (2005) |
| 059 |
DKP2005 |
PDF Structures, Energetics And Magnetic Properties Of NinB Clusters With N=1-8,12 M. D. Deshpande, D. G. Kanhere, R. Pandey Phys. Rev. A, 71, 063202 (2005, 71, 63202 (2005) |
| 060 |
BSJCP2005 |
PDF Energetics And Migration Of Point Defects In Ga2O3 M. A. Blanco, M. B. Sahariah, H. Jiang, A. Costales, R. Pandey Phys. Rev. B, 72, 184103 (2005) |
| 061 |
HPPKIEEE2005 |
PDF Spin-dependent Electron Transport Along A Molecular Wire In A Metal (Probe) –Vacuum – Molecule – Metal System: The Effects Of The Size And The Shape Of The Probe Tip H. He, R. Pati, R. Pandey, S. P. Karna Proceedings of 2005 5th IEEE C, 2, 815 (2005) |
| 062 |
BCLP2004 |
PDF Theoretical Study Of The Group IV Antisite Acceptor Defects In CdGeAs2 M. A. Blanco, A. Costales, V. Luaña, R. Pandey Appl. Phys. Lett., 85, 4376 (2004) |
| 063 |
LKCP2004 |
PDF Equilibrium Geometry And Electron Detachment Energies Of Anionic Cr2O4, Cr2O5 And Cr2O6 Clusters K. C. Lau, A. K. Kandalam, A. Costales, R. Pandey Chem. Phys. Lett., 393, 112 (2004) |
| 064 |
PPBZ2004 |
PDF First Principles Intermolecular Binding Energies In Organic Molecular Crystals W. F. Perger, R. Pandey, M. A. Blanco, J. Zhao Chem. Phys. Lett., 388, 175 (2004) |
| 065 |
KRJP2004 |
PDF Geometry And Electronic Structure Of Vn(Bz)m Complexes A. K. Kandalam, B. K. Rao, P. Jena, R. Pandey J. Chem. Phys., 120, 10414 (2004) |
| 066 |
VSYPPJBCQX2004 |
PDF Effect Of Dielectric Polarization On The Properties Of Charged Point Defects In Insulating Crystals: The Nitrogen Vacancy In AlN J. M. Vail, D. Schindel, A. Yang, O. Penner, R. Pandey, H. Jiang, M. A. Blanco, A. Costales, Q. C. Qui, Y. Xu J. Phys. : Condensed Matter, 16, 3371 (2004) |
| 067 |
JOBP2004 |
PDF First Principles Study Of The Electronic Structure Of PbF2 In The Cubic, Orthorhombic, And Hexagonal Phases H. Jiang, R. Orlando, M. A. Blanco, R. Pandey J. Phys. : Condensed Matter, 16, 3081 (2004) |
| 068 |
GLDPGG2004 |
PDF Structure, Energetics, Electronic, And Hydration Properties Of Neutral And Anionic Al3O6, Al3O7, And Al3O8 Clusters S. Gowtham, K. C. Lau, M. D. Deshpande, R. Pandey, A. K. Gianotto, G. S. Groenewold J. Phys. Chem. A, 108, 5081 (2004) |
| 069 |
GCP2004 |
PDF Theoretical Study Of Neutral And Ionic States Of Small Clusters Of GamOn (m, N = 1, 2) S. Gowtham, A. Costales, R. Pandey J. Phys. Chem. B, 108, 17295 (2004) |
| 070 |
GOHPBMCC2003 |
PDF Optical Properties Of CdS02Se08:V J. T. Goldstein, M. Ohmer, S. M. Hegde, R. Pandey, A. Burger, S. H. Morgan, K. T. Chen, Y. F. Chen J. Electronic Materials, 32, 1 (2003) |
| 071 |
CP2003 |
PDF Density Functional Calculations Of Small Anionic Clusters Of Group III Nitrides A. Costales, R. Pandey J. Phys. Chem. A, 107, 191 (2003) |
| 072 |
CKP2003 |
PDF Theoretical Study Of Neutral And Anionic Group III Nitride Clusters : MnNn (M=Al, Ga And In; N=4-6) A. Costales, A. K. Kandalam, R. Pandey J. Phys. Chem. B, 107, 4508 (2003) |
| 073 |
JPDR2003 |
PDF First Principles Study Of Structural, Electronic And Optical Properties Of BaF2 In Its Cubic, Orthorhombic And Hexagonal Phases H. Jiang, R. Pandey, C. Darrigan, M. Rérat J. Phys.: Condens. Matter, 15, 709 (2003) |
| 074 |
FMRP2003 |
PDF Theoretical Compressibilities Of High Pressure ZnTe Polymorphs R. Franco, P. Mori-Sánchez, J. M. Recio, R. Pandey Phys. Rev. B, 68, 195208 (2003) |
| 075 |
CP2002 |
PDF A Theoretical Study Of Structural, Vibrational And Electronic Properties Of Neutral, Positive And Negative Indium Arsenide Clusters, InnAsn, (n=1,2,3) A. Costales, R. Pandey Chem. Phys. Lett., 362, 210 (2, 362, 210 (2002) |
| 076 |
CBPKR2002 |
PDF Chemical Bonding In Group III Nitrides A. Costales, M. A. Blanco, A. M. Pendas, A. K. Kandalam, R. Pandey J. Am. Chem. Soc., 124, 4116 (2002) |
| 077 |
KBP2002 |
PDF Theoretical Study Of AlnNn, GanNn, And InnNn (n = 4, 5, 6) Clusters A. K. Kandalam, M. A. Blanco, R. Pandey J. Phys. Chem. B, 106, 1945 (2002) |
| 078 |
CKFP2002 |
PDF Theoretical Study Of Structural And Vibrational Properties Of (AlP)n, (AlAs)n, (GaP)n, (GaAs)n, (InP)n And (InAs)n Clusters With n = 1, 2, 3 A. Costales, A. K. Kandalam, R. Franco, R. Pandey J. Phys. Chem. B, 106, 1940 (2002) |
| 079 |
FKPP2002 |
PDF Theoretical Study Of Structural And Electronic Properties Of Methyl-Silsesquioxanes R. Franco, A. K. Kandalam, R. Pandey, U. C. Pernisz J. Phys. Chem. B, 106, 1709 (2002) |
| 080 |
PRJB2001 |
PDF Electronic Structure And Properties Of Transition Metal- Benzene Complexes R. Pandey, B. K. Rao, P. Jena, M. A. Blanco J. Am. Chem. Soc., 123, 3799 (2001) |
| 081 |
KBP2001 |
PDF Theoretical Study Of Structural And Vibrational Properties Of Al3N3, Ga3N3 And In3N3 A. K. Kandalam, M. A. Blanco, R. Pandey J. Phys. Chem. B, 105, 6080 (2001) |
| 082 |
RCP2001 |
PDF First-Principles Calculations Of Non-Linear Optical Susceptibility Of Inorganic Materials M. Rerat, W. Cheng, R. Pandey J. Phys.: Condens. Matter, 13, 343 (2001) |
| 083 |
LRPBPP2001 |
PDF Practical Embedding For Ionic Materials 1. Crystal Adapted Pseudopotentials For The MgO Crystal V. Luaña, J. M. Recio, A. M. Pendas, M. A. Blanco, L. Pueyo, R. Pandey Phys. Rev. B, 64, 104102 (2001) |
| 084 |
RFPBPP2001 |
PDF Theoretical Explanation Of The Uniform Compressibility Behavior Observed In Oxide Spinels J. M. Recio, R. Franco, A. M. Pendas, M. A. Blanco, L. Pueyo, R. Pandey Phys. Rev. B, 63, 184101 (2001) |
| 085 |
CZZCZP2000 |
PDF Electronic Structures And Linear Optics Of A2B2O5 (A = Mg, Ca, Sr) Pyroborates W. D. Cheng, H. Zhang, F. K. Zheng, J. T. Chen, Q. E. Zhang, R. Pandey Chem. Mater., 12, 3591 (2000) |
| 086 |
PRJN2000 |
PDF Unique Magnetic Signature Of Transition Metal Atoms Supported By Benzene R. Pandey, B. K. Rao, P. Jena, J. Newsam Chem. Phys. Lett., 321, 142 (2000) |
| 087 |
RRDC2000 |
PDF A Theoretical Study Of Stability, Electronic And Optical Properties Of GeC And SnC R. Pandey, M. Rrat, C. Darrigan, M. Causa J. Appl. Phys., 88, 6462 (2000) |
| 088 |
XPRFN2000 |
PDF A Theoretical Study Of The Cluster Vibrations In Cr2O2, Cr2O3, And Cr2O4 K. Xiang, R. Pandey, J. M. Recio, E. Francisco, J. M. Newsam J. Phys. Chem. A, 104, 990 (2000) |
| 089 |
CXPP2000 |
PDF Calculations Of Linear And Non-Linear Optical Properties Of H-Silsesquioxanes W. D Cheng , K. Xiang, R. Pandey, U. C. Pernisz J. Phys. Chem. B, 104, 6737 (2000) |
| 090 |
CKPBP2000 |
PDF First Principles Study Of Polyatomic Clusters Of AlN, GaN, And InN. 2. Chemical Bonding A. Costales, A. K. Kandalam, A. Pends, M. A. Blanco, R. Pandey J. Phys. Chem. B, 104, 4368 (2000) |
| 091 |
KPBRN2000 |
PDF First Principles Study Of AlN, GaN And InN, 1.Structure, Stability, Vibrations And Ionization A. K. Kandalam, R. Pandey, M. A. Blanco, J. M. Recio, J. Newsam J. Phys. Chem. B, 104, 4361 (2000) |
| 092 |
POCR2000 |
PDF Modeling Of The Properties Of Dopants In The NLO Semiconductor CdGeAs2 R. Pandey, M. C. Ohmer, A. Costales, J. M. Recio Mat. Res. Soc. Symp. Proc., 607, 471 (2000) |
| 093 |
BRCP2000 |
PDF Transition Path For The B3 ---> B1 Phase Transformation In Semiconductors M. A. Blanco, J. M. Recio, A. Costales, R. Pandey Phys. Rev. B, 62, 10599 (2000) |
| 094 |
JCBGPG2000 |
PDF Theoretical Study Of Native And Rare-Earth Defect Complexes In β-PbF2 H. Jiang, A. Costales, M. A. Blanco, M. Gu, R. Pandey, J. Gale Phys. Rev. B, 62, 803 (2000) |
| 095 |
CBPR2000 |
PDF Theoretical Characterization Of The High Pressure Phases Of PbF2 A. Costales, M. A. Blanco, R. Pandey, J. M. Recio Phys. Rev. B, 61, 11359 (2000) |
| 096 |
KP1999 |
PDF Atomistic Modeling Of Defects In Yttrium Aluminum Garnet Crystals M. Kukla, R. Pandey J. Am. Ceram. Soc., 82, 2881 (1999) |
| 097 |
PGSR1999 |
PDF Atomistic Simulation Study Of Spinel Oxides: Zinc Aluminate And Zinc Gallate R. Pandey, J. D. Gale, S. K. Sampath, J. M. Recio J. Amer. Ceram. Soc., 82, 3337 (1999) |
| 098 |
ZPSRO1999 |
PDF Density Functional Study Of The Structure, Thermodynamics And Electronic Properties Of CdGeAs2 P. Zapol, R. Pandey, M. Seel, J. M. Recio, M. C. Ohmer J. Phys.: Condense Matt., 11, 4517 (1999) |
| 099 |
SKP1999 |
PDF Electronic Structure Of Spinel Oxides: Zinc Aluminate And Zinc Gallate S. K. Sampath, D. G. Kanhere, R. Pandey J. Phys: Condensed Matter, 11, 3635 (1999) |
| 100 |
KSHP1998 |
PDF Electronic Structure Of YBa2Cu3O7 Ceramics At The MP2 Electron Correlation Level I. G. Kaplan, J. Soullard, J. Hernandez-Cobos, R. Pandey J. Phys. : Condensed Matter, 11, 1049 (1998) |
| 101 |
XPPF1998 |
PDF Theoretical Study Of Structural And Electronic Properties Of H-Silsesquioxanes K. H.Xiang, R. Pandey, U. C. Pernisz, C. Freeman J. Phys. Chem. B, 102, 8704 (1998) |
| 102 |
POG1998 |
PDF Theoretical Study Of Native Acceptors In CdGeAs2 R. Pandey, M. C. Ohmer, J. Gale J. Phys: Condensed Matter, 10, 5525 (1998) |
| 103 |
POCR1998 |
PDF Atomistic Calculations Of Dopant Binding Energies In ZnGeP2 R. Pandey, M. Ohmer, A. Costales, J. M. Recio MRS Symp. Proceedings, 484, 525 (1998) |
| 104 |
RBLPGO1998 |
PDF Compressibility Of The High-Pressure Rock-Salt Phase Of ZnO J. M. Recio, M. A. Blanco, V. Luana, R. Pandey, L. Gerward, J. S. Olsen Phys. Rev. B, 58, 8949 (1998) |
| 105 |
VELGP1998 |
PDF Simulation Of Point Defects In High Density Luminescent Crystals: Oxygen In Barium Fluoride J. M. Vail, E. Emberly, T. Lu, M. Gu, R. Pandey Phys. Rev. B, 57, 764 (1998) |
| 106 |
VXPRN1997 |
PDF Density Functional Study Of Chromium Oxide Clusters: Structures, Bonding, Vibrations And Stability S. Veliah, K. Xiang, R. Pandey, J. M. Recio, J. Newsam J. Phys. Chem., 102, 1126 (1997) |
| 107 |
ZPG1997 |
PDF An Interatomic Potential Study Of The Properties Of GaN P. Zapol, R. Pandey, J. Gale J. Phys: Condens. Matter, 9, 9517 (1997) |
| 108 |
PZC1997 |
PDF Theoretical Study Of Non Polar Surfaces Of Aluminum Nitride: Zinc Blende (110) And Wurtzite (1010) R. Pandey, P. Zapol, M. Causa Phys. Rev. B, 55, 16009 (1997) |
| 109 |
ZPOG1996 |
PDF Atomistic Calculations Of Defects In ZnGeP2 P. Zapol, R. Pandey, M. Ohmer, J. Gale J. Appl. Physics, 79, 671 (199, 79, 671 (1996) |
| 110 |
PCHS1996 |
PDF The High Pressure Phase Transitions Of Silicon And Gallium Nitride : A Comparative Study Of Hartree-Fock And Density Functional Calculations R. Pandey, M. Causa, N. Harrison, M. Seel J. Phys: Condens. Matter, 8, 1 (1996) |
| 111 |
JPZ1996 |
PDF Ab Initio Prediction Of GaN (1010) And (110) Anomalous Surface Relaxation J. Jaffe, R. Pandey, P. Zapol Phys. Rev. B, 53, 4209 (1996) |
| 112 |
GPR1996 |
PDF Local Relaxations And Optical Properties Of Cr3+ In MgO D. Groh, R. Pandey, J. M. Recio Radiation Effects and Defects, 134, 201 (1996) |
| 113 |
VPLNV1995 |
PDF Density Functional Study Of Structural And Electronic Properties Of Cube-like MgO Clusters S. Veliah, R. Pandey, Y. S. Li, J. M. Newsam, B. Vessal Chem. Phys. Lett., 235, 52 (1995) |
| 114 |
STPC1995 |
PDF Ab Initio Calculations For Dissociative Hydrogen Adsorption On Li2O Surfaces A. Sutjianto, S. W. Tam, R. Pandey, L. Curtiss J. Nuclear Materials, 219, 250 (1995) |
| 115 |
PC1994 |
PDF NLO Properties Of Si(OH)4 And Ge(OH)4 Clusters R. Pandey, M. Coolidge Chem Phys. Lett., 220, 337 (1994) |
| 116 |
SPR1994 |
PDF Structure And Stability Of BN Microclusters - Ab Initio Calculations For (BN)n (n = 2-4) A. Sutjianto, R. Pandey, J. M. Recio Int. J. Quant. Chem., 52, 199 (1994) |
| 117 |
PVP1994 |
PDF Point Defects In Magnesium Sulfide U. Puntambekar, S. Veliah, R. Pandey J. Mater. Res., 9, 132 (1994) |
| 118 |
PJH1994 |
PDF Phase Transition In GaN R. Pandey, J. Jaffe, N. Harrison J. Phys. Chem. Solids, 55, 1357 (1994) |
| 119 |
GPR1994 |
PDF Embedded Quantum Cluster Study Of Local Relaxations And Optical Properties Of Cr3+ In MgO D. Groh, R. Pandey, J.M. Recio Phys. Rev. B, 50, 14860 (1994) |
| 120 |
PS1994 |
PDF Study Of Structural Phase Transition In MgSe R. Pandey, A. Sutjianto Solid State Communications, 91, 269 (1994) |
| 121 |
RPA1993 |
PDF Molecular Orbital Calculations On (MgO)n And (MgO)n+ Clusters (n = 1 - 13) J. Recio, R. Pandey, A. Ayuela J. Chem. Phys., 98, 4783 (1993) |
| 122 |
PSSJ1993 |
PDF Electronic Structure Of High Pressure Phase Of AIN R. Pandey, A. Sutjianto, M. Seel, J. Jaffe J. Mater. Res., 8, 1992 (1993) |
| 123 |
RP1993 |
PDF Ab Initio Study Of Neutral And Ionized Microclusters Of MgO J. Recio, R. Pandey Phys. Rev. A, 47, 2075 (1993) |
| 124 |
JPS1993 |
PDF High Pressure Structural And Electronic Properties Of ZnS J. Jaffe, R. Pandey, M. Seel Phys. Rev. B, 47, 6299 (1993) |
| 125 |
RPL1993 |
PDF Quantum Mechanical Modeling Of The High Pressure State Equations Of ZnO And ZnS J. M. Recio, R. Pandey, V. Luaña Phys. Rev. B, 47, 3401 (1993) |
| 126 |
PRP1993 |
PDF Defect Energy Calculations Of Alkali Chlorides Using Derived Ab Initio Potentials U. Puntambekar, J. M. Recio, R. Pandey Solid State Comm., 85, 423 (1993) |
| 127 |
RAPK1993 |
PDF Quantum Mechanical Calculations Of Stoichiometric MgO Clusters J. M. Recio, A. Ayulea, R. Pandey, A. B. Kunz Z. Phys. d-Atoms, Molecules an, 26, 237 (1993) |
| 128 |
PLJ1992 |
PDF Electronic Structure Of Alkaline Earth Selenides R. Pandey, P. Lepak, J. E. Jaffe Phys. Rev. B, 46, 4976 (1992) |
| 129 |
ZPK1992 |
PDF Embedded Cluster Study Of Cu+ - Induced Lattice Relaxation In Alkali Halides J. Zuo, R. Pandey, A. B. Kunz Phys. Rev. B, 45, 2709, 45, 2709 (1992) |
| 130 |
VPK1992 |
PDF Embedded Quantum Cluster Simulation Of Point Defects Of Ionic Crystals J. M. Vail, R. Pandey, A. B. Kunz Rev. Solid State Sciences, 5, 241 (1992) |
| 131 |
PYVZ1992 |
PDF Derivation Of Pair Potentials From First Principles And Simulation Of NaF Clusters R. Pandey, X. Yang, J. Vail, J. Zuo Solid State Commun., 81, 549 (1992) |
| 132 |
PJK1991 |
PDF Ab Initio Band Structure Calculations For Alkaline Earth Oxides And Sulfides R. Pandey, J. E. Jaffe, A. B. Kunz Phys. Rev. B, 43, 9228 (1991) |
| 133 |
JPK1991 |
PDF Electronic Structure Of The Rocksalt Structure Semiconductors ZnO And CdO J. E. Jaffe, R. Pandey, A. B. Kunz Phys. Rev. B, 43, 14030 (1991), 43, 14030 (1991) |
| 134 |
ZPK1991 |
PDF Embedded Cluster Study Of The Lithium Trapped Hole Center In Magnesium Oxide J. Zuo, R. Pandey, A. B. Kunz Phys. Rev. B, 44, 7187 (1991), 44, 7187 (1991) |
| 135 |
PSK1990 |
PDF Ab Initio Study Of Localization And Excitation Of An Excess Electron In Alkali Halide Clusters R. Pandey, M. Seel, A. B. Kunz Phys. Rev. B, 41, 7955 (1990) |