Papers

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Publications:

1JHP2018 | PDF
Interaction Of Silicene With Amino Acid Analogues—from Physical To Chemical Adsorption In Gas And Solvated Phases
Yesukhei Jagvaral, Haiying He Ravindra Pandey
2D Materials5, 15012 (2018)
2SP2018 | PDF
Polarity-Induced Surface Recognition And Self-Assembly Of Noncanonical DNA Nucleobases On BN Monolayer
Nabanita Saikia & Ravindra Pandey
J Phys Chem C122, 3915 (2018)
3SEP2018 | PDF
Electronic And Quantum Transport Properties Of A Graphene-BN Dot-ring Hetero-nanostructure
Max Seel & Ravindra Pandey
J Physics Communications2, 45003 (2018)
4SJWP2018 | PDF
Dynamics Of Self-assembled Cytosine Nucleobases On Graphene
Nabanita Saikia , Floyd Johnson, Kevin Waters & Ravindra Pandey
Nanotechnology29, 195601 (2018)
5SASRK2018 | PDF
Stability And Carrier Transport Properties Of Phosphorene-based Polymorphic Nanoribbons
Sumandeep Kaur, Ashok Kumar, Sunita Srivastava, Ravindra Pandey & K Tankeshwar
Nanotechnology29, 155701 (2018)
6SSGP2018-SciRep | PDF
Vacancy Assisted He-interstitial Clustering And Their Elemental Interaction At FCC-BCC Semicoherent Metallic Interface
Ujjal Saikia, Munima B. Sahariah, César González & Ravindra Pandey
Scientific Reports 8, 3844 (2018)
7SWKP2017 | PDF
Hierarchical Self-Assembly Of Noncanonical Guanine Nucleobases On Graphene
Nabanita Saikia , Kevin Waters, Shahsi P. Karna & Ravindra Pandey
ACS Omega2, 3457 (2017)
8WPK2017 | PDF
Amino Acid Analogue-Conjugated BN Nanomaterials In A Solvated Phase: First Principles Study Of Topology-Dependent Interactions With A Monolayer And A (5,0) Nanotube
Kevin Waters, Ravindra Pandey, & Shashi P. Karna
ACS OMEGA2, 76 (2017)
9SSWPS2017 | PDF
Electronic Properties Of Acetaminophen Adsorbed On 2D Clusters: A First Principles Density Functional Study
Ujjal Saikia, Nabanita Saikia, Kevin Waters, Ravindra Pandey, Munima B. Sahariah,
ChemistrySelect2, 3613 (2017)
10WPMB2017 | PDF
Degradation Of Alkali-Based Photocathodes From Exposure To Residual Gases: A First-Principles Study
Gaoxue Wang, Ravindra Pandey, Nathan A. Moody, & Enrique R. Batista
J. Phys. Chem. C3, 31 (2017)
11GWKP2017 | PDF
Stability And Electronic Properties Of Hybrid SnO Bilayers: SnO/graphene And SnO/BN
Qing Guo, Gaoxue Wang, Ashok Kumar & Ravindra Pandey
Nanotechnolgy28, 475708 (2017)
12GHLP2017 | PDF
Spin-dependent Electron Transport In C And Ge Doped BN Monolayers
Sanjeev K. Gupta, Haiying He, Igor Lukacˇevic´& Ravindra Pandey
Phys.Chem.Chem.Phys.19, 30370 (2017)
13SKP2017 | PDF
Theoretical Study Of Gas And Solvent Phase Stability And Molecular Adsorption Of Noncanonical Guanine Bases On Graphene
Nabanita Saikia, Shashi P. Karna & Ravindra Pandey
Phys.Chem.Chem.Phys.19, 16819 (2017)
14WSPK2016 | PDF
Degradation Of Phosphorene In Air: Understanding At Atomic Level
Gaoxue Wang, William J Slough, Ravindra Pandey, Shashi P Karna
2D Mater.3, 25011 (2016)
15SP2016 | PDF
Proton And Hydrogen Transport Through Two-dimensional Monolayers
Max Seel, Ravindra Pandey
2D Mater.3, 25004 (2016)
16KPAT2016 | PDF
Topological Insulator Behavior Of WS2 Monolayer With Square-octagon Ring Structure
Ashok Kumar, Ravindra Pandey, P. K. Ahluwalia, K. Tankeshwar
AIP Conference Proceedings1731, 140049 (2016)
17PWNPP2016 | PDF
Vibrational Spectra Of (BaF2)n (n=1-6) Clusters
Ratnesh K. Pandey, Kevin Waters, Sandeep Nigam, Ravindra Pandey, Avinash C. Pandey
AIP Conference Proceedings1731, 90034 (2016)
18JKTPA2016 | PDF
Energetics And Electronic Properties Of Pt Wires Of Different Topologies On Monolayer MoSe2
Pooja Jamdagni, Ashok Kumar, Anil Thakur, Ravindra Pandey, P. K. Ahluwalia
AIP Conference Proceedings1731, 90028 (2016)
19CLSPP | PDF
Atomic Level Understanding Of Site-specific Interactions In Polyaniline/TiO2 Composite
Satyananda Chabungbama, G.C. Loh, Munima B. Sahariaha, Arup R. Pala, Ravindra Pandeyb
Chemical Physics Letters645, 144 (2016)
20WHSPK2016 | PDF
Nature Of Interaction Between Semiconducting Nanostructures And Biomolecules: Chalcogenide QDs And BNNT With DNA Molecules
Zhoufei Wang, Haiying He, William Slough, Ravindra Pandey, Shashi P. Karna
J. Phys. Chem. C119, 25965 (2016)
21SSP2016 | PDF
Stability And Electronic Properties Of 2D Nanomaterials Conjugated With Pyrazinamide Chemotherapeutic: A First-Principles Cluster Study
Nabanita Saikia, Maximilian Seel, Ravindra Pandey
J. Phys. Chem. C1, 1 (2016)
22TWWGHP2016 | PDF
Thermoelectric Properties Of SnSe Nanoribbons: A Theoretical Aspect
Kriti Tyagi, Kevin Waters, Gaoxue Wang, Bhasker Gahtori, DHaranath, Ravindra Pandey
Mater. Res. Express3, 35013 (2016)
23WPK2016 | PDF
Carbon Phosphide Monolayers With Superior Carrier Mobility
Gaoxue Wang, Ravindra Pandey, Shashi P. Karna
Nanoscale8, 8819 (2016)
24WLPK2016 | PDF
Out-of-plane Structural Flexibility Of Phosphorene
Gaoxue Wang, G C Loh, Ravindra Pandey, Shashi P Karna
Nanotechnology27, 55701 (2016)
25KSP2016 | PDF
Electronic Properties Of A Pristine And NH3/NO2 Adsorbed Buckled Arsenene Monolayer
Md. Shahzad Khan, Anurag Srivastava, Ravindra Pandeyb
RSC Advances6, 72634 (2016)
26SLWKPA2016 | PDF
Spin-dependent Metallic Properties Of A Functionalized MoS2 Monolayer
Munish Sharma, G. C. Loh, Gaoxue Wang, Ravindra Pandey, Shashi P. Karna & P. K. Ahluwalia
RSC Advances6, 38499 (2016)
27NMP2016 | PDF
Impact Of Van Der Waal’s Interaction In The Hybrid Bilayer Of Silicene/SiC
Sandeep Nigam, Chiranjib Majumder, Ravindra Pandey
RSC Advances6, 21948 (2016)
28WPK2016_3 | PDF
Physics And Chemistry Of Oxidation Of Two-dimensional Nanomaterials By Molecular Oxygen
Gaoxue Wang, Ravindra Pandey, Shashi P. Karna
WIREs Comput Mol Sci1, 1 (2016)
29WPK2015_3 | PDF
Atomically Thin Group V Elemental Films: Theoretical Investigations Of Antimonene Allotropes
Gaoxue Wang, Ravindra Pandey, Shashi P. Karna
ACS Appl. Mater. Interfaces7, 11490 (2015)
30KHPAT2015 | PDF
Semiconductor-to-metal Phase Transition In Monolayer ZrS2: GGA+U Study
Ashok Kumar, Haiying He, Ravindra Pandey, P. K. Ahluwalia, K. Tankeshwar
AIP Conference Proceedings1665, 90016 (2015)
31WPK2015_2 | PDF
Effects Of Extrinsic Point Defects In Phosphorene: B, C, N, O, And F Adatoms
Gaoxue Wang, Ravindra Pandey, Shashi P. Karna
APPLIED PHYSICS LETTERS106, 173104 (2015)
32GHLDP2015 | PDF
Interaction Of Metallic Clusters With Biologicallyactive Curcumin Molecules
Sanjeev K. Guptaa, Haiying He, Chunhui Liu, Ranu Duttac, Ravindra Pandeya
Chemical Physics Letters636, 163 (2015)
33LP2015 | PDF
Versatile Electronic Properties Of Atomically Layered ScO2
G. C. Loh, Ravindra Pandey
J. Mater. Chem. C3, 6627 (2015)
34LP2015_2 | PDF
A Graphene Boron Nitride Lateral Heterostructure – A First-principles Study Of Its Growth, Electronic Properties, And Chemical Topology
G. C. Loh, Ravindra Pandey
J. Mater. Chem. C3, 5918 (2015)
35WLPK2015 | PDF
Novel Two-Dimensional Silica Monolayers With Tetrahedral And Octahedral Configurations
Gaoxue Wang, G. C. Loh, Ravindra Pandey, Shashi P. Karna
J. Phys. Chem. C119, 15654 (2015)
36JKTPA2015 | PDF
Stability And Electronic Properties Of SiGe-based 2D Layered Structures
Pooja Jamdagni, Ashok Kumar, Anil Thakur, Ravindra Pandey, P K Ahluwalia
Materials Research Express2, 16301 (2015)
37WPK2015 | PDF
Phosphorene Oxide: Stability And Electronic Properties Of A Novel Two-dimensional Material
Gaoxue Wang, Ravindra Pandey, Shashi P. Karna
Nanoscale7, 524 (2015)
38NGMP2015 | PDF
Modulation Of Band Gap By An Applied Electric Field In Silicene-based Hetero-bilayers
Sandeep Nigam, Sanjeev K. Gupta, C. Majumderb, Ravindra Pandey
PCCP17, 11324 (2015)
39NGBPM2015 | PDF
Evidence Of A Graphene-like Sn-sheet On A Au(111) Substrate: Electronic Structure And Transport Properties From First Principles Calculations
Sandeep Nigam, Sanjeev Gupta, Douglas Banyai, Ravindra Pandey, Chiranjib Majumder
PCCP17, 6705 (2015)
40YWZPY2015 | PDF
Recent Advancement On The Optical Properties Of Two-Dimensional Molybdenum Disulfide (MoS2) Thin Films
Mingxiao Ye, Dustin Winslow, Dongyan Zhang, Ravindra Pandey, Yoke Khin Yap
Photonics2, 288 (2015)
041LP2015_3 | PDF
Robust Magnetic Domains In Fluorinated ReS2 Monolayer
G. C. Loh, Ravindra Pandey
Phys. Chem. Chem. Phys.17, 18843 (2015)
42PDHAPTZLLY2015 | PDF
Switching Behaviors Of Graphene- Boron Nitride Nanotube Heterojunctions
Vyom Parashar, Corentin P. Durand, Boyi Hao, Rodrigo G. Amorim, Ravindra Pandey, Bishnu Tiwari, Dongyan Zhang, Yang Liu, An-Ping Li, Yoke Khin Yap
Scientific Reports5, 12238 (2015)
43SDS2015P | PDF
Sensing Based On Fano-Type Resonance Response Of All-Dielectric Metamaterials
Elena Semouchkina, Ran Duan, George Semouchkin, Ravindra Pandey
Sensors15, 9934 (2015)
44LPYK2015 | PDF
MoS2 Quantum Dot: Effects Of Passivation, Additional Layer, And H‑BN Substrate On Its Stability And Electronic Properties
G. C. Loh, Ravindra Pandey, Yoke Khin Yap, Shashi P. Karna
The Journal of Physical Chemistry C119, 1565 (2015)
45DST2014 | PDF
Engineering Of Gadofluoroprobes: Broad-spectrum Applications From Cancer Diagnosis To Therapy
R. A. Dutta, P. K. Sharma, V. Tiwari, V. Tiwari, A. B. Patel, R. Pandey, A. C. Pandey
Applied Physics Letter104, 23703 (2014)
46WYZSXHP2014 | PDF
Decoding The Mechanism Of The Mechanical Transfer Of A GaN-based Heterostructure Via An H-BN Release Layer In A Device Configuration
Gaoxue Wang, D. Z. Yang, Z. Y. Zhang, M. S. Si, Desheng Xue, Haiying He, Ravindra Pandey
APPLIED PHYSICS LETTERS105, 121605 (2014)
47WSKP2014 | PDF
Strain Engineering Of Dirac Cones In Graphyne
Gaoxue Wang, Mingsu Si, Ashok Kumar, Ravindra Pandey
APPLIED PHYSICS LETTERS104, 213107 (2014)
48PWNHPPP2014 | PDF
A Theoretical Study Of Structural And Electronic Properties Of Alkaline-earth Fluoride Clusters
Ratnesh K. Pandey , Kevin Waters, Sandeep Nigam, Haiying He, Subhash S. Pingale, Avinash C. Pandey, Ravindra Pandey
Computational and Theoretical Chemistry1043, 24 (2014)
49HVSPS2014 | PDF
Influence Of (Al, Fe, Mg) Impurities On Triclinic Ca3SiO5: Interpretations From DFT Calculations
Jian Huang, Loredana Valenzano, Tajendra Vir Singh, Ravindra Pandey, Gaurav Sant
Crystal Growth & Design14, 2158 (2014)
50XHHM2014 | PDF
Studies On Phase Stability, Mechanical, Optical And Electronic Properties Of A New Gd2CaZnO5 Phosphor System For LEDs
D. Xu, D. Haranath, H. He, S. Mishra, I. Bharti, D. Yadav, B. Sivaiah, B. Gahtori, N. Vijayan, A . Dhar, J. Zhu, V. Shanker R. Pandey
CrystEngComm16, 1652 (2014)
51MKAP2014 | PDF
Strain And Electric Field Induced Electronic Properties Of Two-dimensional Hybrid Bilayers Of Transition-metal Dichalcogenides
Munish Sharma, Ashok Kumar, P. K. Ahluwalia, Ravindra Pandey
J. Appl. Phys.116, 63711 (2014)
52LNMP2014 | PDF
Carbon-Doped Boron Nitride Nanomesh: Stability And Electronic Properties Of Adsorbed Hydrogen And Oxygen
G. C. Loh, Sandeep Nigam, G. Mallick, Ravindra Pandey
J. Phys. Chem. C118, 23888 (2014)
53ZMP2014 | PDF
Stability And Electronic Properties Of Carbon In α-Al2O3
Jiajie Zhu, K. P. Muthe, Ravindra Pandey
Journal of Physics and Chemistry of Solids75, 379 (2014)
54GHBSPK2014 | PDF
Effect Of Si Doping On The Electronic Properties Of BN Monolayer
Sanjeev K. Gupta, Haiying He, Douglas Banyai, Mingsu Si, Ravindra Pandey, Shashi P. Karna
Nanoscale6, 5526 (2014)
55ZARP2014 | PDF
Hybridization Effects On The Out-of-plane Electron Tunneling Properties Of Monolayers: Is H-BN More Conductive Than Graphene?
Xiaoliang Zhong, Rodrigo G Amorim, Alexandre R Rocha, Ravindra Pandey
Nanotechnology25, 345703 (2014)
56KBAPK2014 | PDF
Electronic Stability And Electron Transport Properties Of Atomic Wires Anchored On The MoS2 Monolayer
Ashok Kumar, Douglas Banyai, P. K. Ahluwalia, Ravindra Pandey, Shashi P. Karna
Phys. Chem. Chem. Phys.16, 20157 (2014)
57GMPB2014 | PDF
The Route To MBxNyCz Molecular Wheels: II. Results Using Accurate Functionals And Basis Sets
A. Güthler, S. Mukhopadhyay, R. Pandey, I. Boustani
Solid State Sciences30, 94 (2014)
58ZMGPK2013 | PDF
Applicability Of Carbon And Boron Nitride Nanotubes As Biosensors: Effect Of Biomolecular Adsorption On The Transport Properties Of Carbon And Boron Nitride Nanotubes
X. Zhong, S. Mukhopadhyay, S. Gowtham, R. Pandey, S. P. Karna
Appl. Phys. Lett.102, 133705 (2013)
59ZGP2013 | PDF
Stability And Electronic Properties Of Polar And Non-polar Surfaces Of CuI
J. Zhu, M. Gu, R. Pandey
Applied Surface Science268, 87 (2013)
60XHPK2013 | PDF
Stacking And Electric Field Effects In Atomically Thin Layers Of GaN
D. Xu, H. He, R. Pandey, S. P. Karna
J. Phys.: Condens. Matter25, 345302 (2013)
61AZMPRK2013 | PDF
Strain- And Electric Field-induced Band Gap Modulation In Nitride Nanomembranes
R. G. Amorim, X. Zhong, S. Mukhopadhyay, R. Pandey, A. R. Rocha, S. P. Karna
J. Phys.: Condens. Matter25, 195801 (2013)
62SGSGP2013 | PDF
First-principles Computation Of Structural, Elastic And Magnetic Properties Of Ni2FeGa Across The Martensitic Transformation
M. B. Sahariah, S. Ghosh, C. S. Singh, S. Gowtham, R. Pandey
J. Phys.: Condens. Matter25, 25502 (2013)
63GHB2013 | PDF
Electron Tunneling Characteristics Of A Cubic Quantum Dot, (PbS)32
S. K. Gupta, H. He, D. Banyai, A. K. Kandalam, R. Pandey
Journal of Chemical Physics139, 244307 (2013)
64BZPK2012 | 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)
65ZPK2012 | PDF
Stacking Dependent Electronic Structure And Transport In Bilayer Graphene Nanoribbons
X. Zhong, R. Pandey, S. P. Karna
Carbon50, 784 (2012)
66ZSPF2012 | PDF
Interaction Of Nucleobases With Silicon Nanowires: A First-principles Study
X. Zhong, W. Slough, R. Pandey, C. Friedrich
Chemical Physics Letters553, 55 (2012)
67KPGPK2012 | PDF
Diffusion Of Water Molecules In Amorphous Silica
S. Kostinski, R. Pandey, S. Gowtham, U. Pernisz, A. Kostinski
IEEE ELECTRON DEVICE LETTERS33, 863 (2012)
68MPK2012 | PDF
Controlling The Performance Of A Three-Terminal Molecular Transistor: Conformational Versus Conventional Gating
S. Mukhopadhyay, R. Pandey, S. P. Karna
J. Phys. Chem. C116, 4840 (2012)
69ZPG2012 | PDF
The Phase Transition And Elastic And Optical Properties Of Polymorphs Of CuI
J. Zhu, R. Pandey, M. Gu
J. Phys.: Condens. Matter24, 475503 (2012)
70ZASPK | PDF
Electronic Structure And Quantum Transport Properties Of Trilayers Formed From Graphene And Boron Nitride
X. Zhong, R. G. Amorim, R. H. Scheicher, R. Pandey, S. P. Karna
Nanoscale4, 5490 (2012)
71KGP2012 | PDF
Electronic Structure Calculations Of Substitutional And Interstitial Hydrogen In Nb
P. Khowash, S. Gowtham, R. Pandey
Solid State Communications152, 788 (2012)
72BP2012 | PDF
The Route To Highly Stable MeBxNyCz Molecular Wheels. I. The Features Of Preliminary Results
I. Boustani, R. Pandey
Solid State Sciences1, 1 (2012)
73SJMDPHK2011 | 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. C115, 10426 (2011)
74ZZVPLGL2011 | 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 Comm47, 3508 (2011)
75SDGARAP2011 | 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 MATERIALS40, 2197 (2011)
76WZWSPJ2011 | 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. C115, 23978 (2011)
77JSPSHK2011 | 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. C115, 22818 (2011)
78MSPK2011 | PDF
Sensitivity Of Boron Nitride Nanotubes Toward Biomolecules Of Different Polarities
S. Mukhopadhyay, R. H. Scheicher, R. Pandey, S. P. Karna
J. Phys. Chem. Lett2, 2442 (2011)
79ZYPK2011 | 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. B83, 193403 (2011)
80GSPKD2011 | 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. B83, 115122 (2011)
81SKP2010 | 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)
82RDP2010 | 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)
83OMHGPB2010 | 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. C114, 4362 (2010)
84HPBK2010 | PDF
Metal–like Electrical Conductance In Boron Fullerenes
H. He, R. Pandey, I. Boustani, S. P. Karna
J. Phys. Chem. C114, 4149 (2010)
85ZPRK2010_0 | PDF
Can Single-Atom Change Affect Electron Transport Properties Of Molecular Nanostructures Such As C60Fullerene?
X. Zhong, R. Pandey, A. R. Rocha, S. P. Karna
J. Phys. Chem. Lett.1, 1584 (2010)
86MGPC2010 | 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: THEOCHEM948, 31 (2010)
87SDLPP2010 | PDF
Surfactant Mediated Optical Properties Of Cytosine Capped CdSe Quantum Dots
P. K. Sharma, R. K. Dutta, C. Liu, R. Pandey, A. C. Pandey
Materials Letters64, 1183 (2010)
88MGSPK2010 | 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
Nanotechnology21, 165703 (2010)
89JSPSHK2010 | 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. Phys13, 476 (2010)
90HPRKK2009 | 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)
91LYP2009 | PDF
Boron And Boron Carbide Materials: Nanostructures And Crystalline Solids
Kah Chun Lau , Yoke Khin Yap , Ravindra Pandey
Book Chapter: B-C-N Nanotubes and Related Nanostructures6, 271 (2009)
92SMBKBP2009 | 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. Nanotechnol0, 743 (2009)
93MKHP2009 | 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 Quant109, 1302 (2009)
94HPMK2009 | 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. C113, 1575 (2009)
95LOP2009 | PDF
Structure And Stability Of Mg–intercalated Boron Nanotubes And Crystalline Bundles
K. C. Lau, R. Orlando, R. Pandey
J. Phys.: Condens. Matter21, 45304 (2009)
96GPSABR2009 | 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 Solids70, 789 (2009)
97MHPYB2009 | 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. Seri176, 12028 (2009)
98VHMCP2009 | 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 in164, 585 (2009)
99SCFPBLHP2008 | 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 Sci24, 2 (2008)
100LHPHK2008 | 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. B112, 15256 (2008)
101DSAP2008 | 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. B112, 8985 (2008)
102HSPRSGAK2008 | 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. C112, 3456 (2008)
103LOP2008 | 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. Matter20, 125202 (2008)
104HPK2008 | PDF
Electronic Conduction In A Model Three–Terminal Molecular Transistor
H. He, R. Pandey, S. P. Karna
Nanotechnology19, 505203 (2008)
105GSPKR2008 | 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
Nanotechnology19, 125701 (2008)
106HPK2007 | 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)
107LP2007 | PDF
Stability And Electronic Properties Of Atomistically-Engineered 2D Boron Sheets
K. C. Lau, R. Pandey
J. Phys. Chem. C111, 2906 (2007)
108GSAPK2007 | PDF
Physisorption Of Nucleobases On Graphene: Density Functional Calculations
S. Gowtham, R. H. Scheicher, R. Ahuja, R. Pandey, S. P. Karna
Phys. Rev. B76, 33401 (2007)
109HBP2006 | PDF
Electronic And Thermodynamic Properties Of β Ga2O3
H. He, M. A. Blanco, R. Pandey
Appl. Phys. Lett.88, 261904 (2006)
110LPPK2006 | 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)
111GCP2006 | 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)
112HPKCPL2006 | 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)
113LPPP2006 | 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)
114DKP2006 | 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. A110, 3814 (2006)
115CBFPP2006 | 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. B110, 4092 (2006)
116VCPB2006 | PDF
The Nitrogen Vacancy In Aluminum Nitride
J. M. Vail, D. K. Chevrier, R. Pandey, M. A. Blanco
J. Phys.: Condens. Matter18, 2125 (2006)
117HOBPABR2006 | 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. B74, 195123 (2006)
118HPPK2006 | 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. B73, 195311 (2006)
119HPKIEEE2006 | PDF
Spin-Polarized Electron Transport Via A C60 Molecule
H. He, R. Pandey, S. P. Karna
Proceedings of 2006 6th IEEE C2, 830 (2006)
120PPPK2005 | 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)
121LP2005 | PDF
The 2D-3D Structural Transition And Chemical Bonding In Elemental Boron Nanoclusters 
K. C. Lau, R. Pandey
CoLe1, 1 (2005)
122LDPP2005 | 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)
123LDP2005 | 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)
124HDBPP2005 | 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)
125BJKLPS2005 | 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)
126GDCP2005 | 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. B109, 14836 (2005)
127CBFPP2005 | 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. B0, 0 (2005)
128DKP2005 | 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 (200571, 63202 (2005)
129BSJCP2005 | PDF
Energetics And Migration Of Point Defects In Ga2O3
M. A. Blanco, M. B. Sahariah, H. Jiang, A. Costales, R. Pandey
Phys. Rev. B72, 184103 (2005)
130HPPKIEEE2005 | 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 C2, 815 (2005)
131BCLP2004 | 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)
132LKCP2004 | 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)
133PPBZ2004 | 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)
134KRJP2004 | 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)
135VSYPPJBCQX2004 | 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 Matter16, 3371 (2004)
136JOBP2004 | 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 Matter16, 3081 (2004)
137GLDPGG2004 | PDF
Structure, Energetics, Electronic, And Hydration Properties Of Neutral And Anionic Al3O6, Al3O7, And Al3O8Clusters
S. Gowtham, K. C. Lau, M. D. Deshpande, R. Pandey, A. K. Gianotto, G. S. Groenewold
J. Phys. Chem. A108, 5081 (2004)
138GCP2004 | 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. B108, 17295 (2004)
139GOHPBMCC2003 | 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 Materials32, 1 (2003)
140CP2003 | PDF
Density Functional Calculations Of Small Anionic Clusters Of Group III Nitrides
A. Costales, R. Pandey
J. Phys. Chem. A107, 191 (2003)
141CKP2003 | 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. B107, 4508 (2003)
142JPDR2003 | 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. Matter15, 709 (2003)
143FMRP2003 | PDF
Theoretical Compressibilities Of High Pressure ZnTe Polymorphs
R. Franco, P. Mori-Sánchez, J. M. Recio, R. Pandey
Phys. Rev. B68, 195208 (2003)
144CP2002 | 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 (2362, 210 (2002)
145CBPKR2002 | 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)
146KBP2002 | PDF
Theoretical Study Of AlnNn, GanNn, And InnNn (n = 4, 5, 6) Clusters
A. K. Kandalam, M. A. Blanco, R. Pandey 
J. Phys. Chem. B106, 1945 (2002)
147CKFP2002 | PDF
Theoretical Study Of Structural And Vibrational Properties Of (AlP)n, (AlAs)n, (GaP)n, (GaAs)n, (InP)n And (InAs)nClusters With n = 1, 2, 3
A. Costales, A. K. Kandalam, R. Franco, R. Pandey 
J. Phys. Chem. B106, 1940 (2002)
148FKPP2002 | PDF
Theoretical Study Of Structural And Electronic Properties Of Methyl-Silsesquioxanes
R. Franco, A. K. Kandalam, R. Pandey, U. C. Pernisz
J. Phys. Chem. B106, 1709 (2002)
149PRJB2001 | 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)
150KBP2001 | PDF
Theoretical Study Of Structural And Vibrational Properties Of Al3N3, Ga3N3 And In3N3
A. K. Kandalam, M. A. Blanco, R. Pandey
J. Phys. Chem. B105, 6080 (2001)
151RCP2001 | PDF
First-Principles Calculations Of Non-Linear Optical Susceptibility Of Inorganic Materials
M. Rerat, W. Cheng, R. Pandey
J. Phys.: Condens. Matter13, 343 (2001)
152LRPBPP2001 | 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. B64, 104102 (2001)
153RFPBPP2001 | 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. B63, 184101 (2001)
154CZZCZP2000 | 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)
155PRJN2000 | 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)
156RRDC2000 | 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)
157XPRFN2000 | 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. A104, 990 (2000)
158CXPP2000 | 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. B104, 6737 (2000)
159CKPBP2000 | 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. B104, 4368 (2000)
160KPBRN2000 | 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. B104, 4361 (2000)
161POCR2000 | 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)
162BRCP2000 | PDF
Transition Path For The B3 —> B1 Phase Transformation In Semiconductors
M. A. Blanco, J. M. Recio, A. Costales, R. Pandey
Phys. Rev. B62, 10599 (2000)
163JCBGPG2000 | 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. B62, 803 (2000)
164CBPR2000 | PDF
Theoretical Characterization Of The High Pressure Phases Of PbF2
A. Costales, M. A. Blanco, R. Pandey, J. M. Recio
Phys. Rev. B61, 11359 (2000)
165KP1999 | PDF
Atomistic Modeling Of Defects In Yttrium Aluminum Garnet Crystals
M. Kukla, R. Pandey
J. Am. Ceram. Soc.82, 2881 (1999)
166PGSR1999 | 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)
167ZPSRO1999 | 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)
168SKP1999 | PDF
Electronic Structure Of Spinel Oxides: Zinc Aluminate And Zinc Gallate
S. K. Sampath, D. G. Kanhere, R. Pandey 
J. Phys: Condensed Matter11, 3635 (1999)
169KSHP1998 | 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 Matter11, 1049 (1998)
170XPPF1998 | PDF
Theoretical Study Of Structural And Electronic Properties Of H-Silsesquioxanes
K. H.Xiang, R. Pandey, U. C. Pernisz, C. Freeman
J. Phys. Chem. B102, 8704 (1998)
171POG1998 | PDF
Theoretical Study Of Native Acceptors In CdGeAs2
R. Pandey, M. C. Ohmer, J. Gale
J. Phys: Condensed Matter10, 5525 (1998)
172POCR1998 | PDF
Atomistic Calculations Of Dopant Binding Energies In ZnGeP2
R. Pandey, M. Ohmer, A. Costales, J. M. Recio
MRS Symp. Proceedings484, 525 (1998)
173RBLPGO1998 | 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. B58, 8949 (1998)
174VELGP1998 | 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. B57, 764 (1998)
175VXPRN1997 | 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)
176ZPG1997 | PDF
An Interatomic Potential Study Of The Properties Of GaN
P. Zapol, R. Pandey, J. Gale
J. Phys: Condens. Matter9, 9517 (1997)
177PZC1997 | PDF
Theoretical Study Of Non Polar Surfaces Of Aluminum Nitride: Zinc Blende (110) And Wurtzite (1010)
R. Pandey, P. Zapol, M. Causa
Phys. Rev. B55, 16009 (1997)
178ZPOG1996 | PDF
Atomistic Calculations Of Defects In ZnGeP2
P. Zapol, R. Pandey, M. Ohmer, J. Gale
J. Appl. Physics, 79, 671 (19979, 671 (1996)
179PCHS1996 | 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. Matter8, 1 (1996)
180JPZ1996 | PDF
Ab Initio Prediction Of GaN (1010) And (110) Anomalous Surface Relaxation
J. Jaffe, R. Pandey, P. Zapol
Phys. Rev. B53, 4209 (1996)
181GPR1996 | PDF
Local Relaxations And Optical Properties Of Cr3+ In MgO
D. Groh, R. Pandey, J. M. Recio
Radiation Effects and Defects134, 201 (1996)
182VPLNV1995 | 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)
183STPC1995 | PDF
Ab Initio Calculations For Dissociative Hydrogen Adsorption On Li2O Surfaces
A. Sutjianto, S. W. Tam, R. Pandey, L. Curtiss
J. Nuclear Materials219, 250 (1995)
184PC1994 | PDF
NLO Properties Of Si(OH)4 And Ge(OH)4 Clusters
R. Pandey, M. Coolidge
Chem Phys. Lett.220, 337 (1994)
185SPR1994 | 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)
186PVP1994 | PDF
Point Defects In Magnesium Sulfide
U. Puntambekar, S. Veliah, R. Pandey
J. Mater. Res.9, 132 (1994)
187PJH1994 | PDF
Phase Transition In GaN
R. Pandey, J. Jaffe, N. Harrison 
J. Phys. Chem. Solids55, 1357 (1994)
188GPR1994 | PDF
Embedded Quantum Cluster Study Of Local Relaxations And Optical Properties Of Cr3+ In MgO
D. Groh, R. Pandey, J.M. Recio
Phys. Rev. B50, 14860 (1994)
189PS1994 | PDF
Study Of Structural Phase Transition In MgSe
R. Pandey, A. Sutjianto
Solid State Communications91, 269 (1994)
190RPA1993 | 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)
191PSSJ1993 | PDF
Electronic Structure Of High Pressure Phase Of AIN
R. Pandey, A. Sutjianto, M. Seel, J. Jaffe
J. Mater. Res.8, 1992 (1993)
192RP1993 | PDF
Ab Initio Study Of Neutral And Ionized Microclusters Of MgO
J. Recio, R. Pandey
Phys. Rev. A47, 2075 (1993)
193JPS1993 | PDF
High Pressure Structural And Electronic Properties Of ZnS
J. Jaffe, R. Pandey, M. Seel
Phys. Rev. B47, 6299 (1993)
194RPL1993 | PDF
Quantum Mechanical Modeling Of The High Pressure State Equations Of ZnO And ZnS
J. M. Recio, R. Pandey, V. Luaña
Phys. Rev. B47, 3401 (1993)
195PRP1993 | 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)
196RAPK1993 | PDF
Quantum Mechanical Calculations Of Stoichiometric MgO Clusters
J. M. Recio, A. Ayulea, R. Pandey, A. B. Kunz
Z. Phys. d-Atoms, Molecules an26, 237 (1993)
197PLJ1992 | PDF
Electronic Structure Of Alkaline Earth Selenides
R. Pandey, P. Lepak, J. E. Jaffe
Phys. Rev. B46, 4976 (1992)
198ZPK1992 | PDF
Embedded Cluster Study Of Cu+ – Induced Lattice Relaxation In Alkali Halides
J. Zuo, R. Pandey, A. B. Kunz
Phys. Rev. B, 45, 270945, 2709 (1992)
199PYVZ1992 | 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)
200SP1992 | PDF
Ab Initio Electronic Structure Of Superionic Conductor Li3P
Max Seel, Ravindra Pandey
Solid State Ionics53, 924 (1992)
201PS1991 | PDF
Spectroscopic Properties Of Defects In Alkaline Earth Sulfides
Ravindra Pandey, S. Sivaraman
J. Phys. Chem. Solids52, 211 (1991)
202PJK1991 | PDF
Ab Initio Band Structure Calculations For Alkaline Earth Oxides And Sulfides
R. Pandey, J. E. Jaffe, A. B. Kunz
Phys. Rev. B43, 9228 (1991)
203JPK1991 | 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)
204ZPK1991 | 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)
205VPK1992 | PDF
Embedded Quantum Cluster Simulation Of Point Defects Of Ionic Crystals
J. M. Vail, R. Pandey, A. B. Kunz
Rev. Solid State Sciences5, 241 (1991)
206PSK1990 | 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. B41, 7955 (1990)
2071985MRS | PDF
Hartree Fock Cluster Computations For Ionic Crystals
J. M. Vail Ravindra Pandey
Materials Res Soc Symp Proc 63, 247 (1985)
2081985PhysicaB | PDF
Hartree-Fock Cluster Computations Of Defect And Perfect Ionic Crystal Properties
J. H. Harding, A. H. Harker, P. B. Keegstra, R. Pandey, J. M. Vail C. Woodward
Physics B131, 151 (1985)