Centre for Modeling and Simulation
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Documents associated with "D. G. Kanhere."
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23 technical report/s
0 thesis/es
0 public document/s
0 outreach document/s

Technical Report/s

Document Title Author/s Download
TR-20110808 Metallic clusters on a model surface: Quantum versus geometric effects S. A. Blundell, Soumyajyoti Haldar, and D. G. Kanhere [593K pdf]
TR-20100918 A systematic study of electronic structure from graphene to graphane Prachi Chandrachud, Bhalchandra S. Pujari, Soumyajyoti Haldar, Biplab Sanyal, and D. G. Kanhere Journal
TR-20091105 Density Functional Investigations of Defect-Induced Mid-Gap States in Graphane Bhalchandra S. Pujari, and D. G. Kanhere. [3.0M pdf]
TR-20090921 Electronic structure and magnetic properties of Ni3nAln clusters Vaishali Shah, and D. G. Kanhere. [577K pdf]
TR-20090205 Stability of gold cages (Au16 and Au17) at finite temperature Prachi Chandrachud, Kavita Joshi, Sailaja Krishnamurty, and D. G. Kanhere [229K pdf]
TR-20080917 Impurity effects on the electronic structure of square quantum dots: A full configuration- interaction study Bhalchandra S. Pujari, Kavita Joshi, D. G. Kanhere, and S. A. Blundell [1.2M pdf]
TR-20071220 Thermodynamics of carbon-doped Al and Ga clusters: Ab initio molecular dynamics simulations Prachi Chandrachud, Kavita Joshi, and D. G. Kanhere Journal
TR-20070919 Electronic structure of spherical quantum dots using coupled cluster method Ideh Heidari, Sourav Pal, B. S. Pujari, and D. G. Kanhere [448K pdf]
TR-20070824 Electronic structure of many-electron square-well quantum dots with and without an attractive impurity: Spin-density-functional theory Bhalchandra Pujari, Kavita Joshi, D. G. Kanhere, and S. A. Blundell [2.3M pdf]
TR-20061127 Density Functional Investigation of the Interaction of Acetone with Small Gold Clusters Ghazal S. Shafai, Sharan Shetty, Sailaja Krishnamurty, Vaishali Shah, and D. G. Kanhere [538K pdf]
TR-20061117 Dopant-Induced Stabilization of Silicon Clusters at Finite Temperature Shahab Zorriasatein, Kavita Joshi, and D. G. Kanhere [657K pdf]
TR-20061023 Geometry, Electronic Properties, and Thermodynamics of Pure and Al-Doped Li Clusters Mal-Soon Lee, S. Gowtham, Haiying He, Kah-Chun Lau, Lin Pan, and D. G. Kanhere [448K pdf]
TR-20060508 Structure, Electronic Properties, and Magnetic Transition in Manganese Clusters Mukul Kabir, Abhijit Mookerjee, and D. G. Kanhere [1.1M pdf]
TR-20051230 "Magic Melters" Have Geometrical Origin Kavita Joshi, Sailaja Krishnamurty, and D. G. Kanhere [414K pdf]
TR-20051108 Finite-Temperature Behavior of Small Silicon and Tin Clusters: An Ab Initio Molecular Dynamics Study Sailaja Krishnamurty, Kavita Joshi, and D. G. Kanhere [235K pdf]
TR-20051027 Size-Sensitive Melting Characteristics of Gallium Clusters: Comparison of Experiment and Theory for Ga17+ and Ga20+ Sailaja Krishnamurty, S. Chacko, D. G. Kanhere, G. A. Breaux, C. M. Neal, and M. F. Jarrold [329K pdf]
TR-20050829 First-Principles Investigation of Finite-Temperature Behavior in Small Sodium Clusters Mal-Soon Lee, S. Chacko, and D. G. Kanhere [134K pdf]
TR-20050504 Ab Initio Density-Functional Study of the Equilibrium Geometries and the Electronic Properties of Li10-nSnn (n = 0–10) Clusters Mal-Soon Lee, D. G. Kanhere, and Kavita Joshi [438K pdf]
TR-20050221 Large Magnetic Moments and Anomalous Exchange Coupling in As-Doped Mn Clusters Mukul Kabir, D. G. Kanhere, and Abhijit Mookerjee [288K pdf]
TR-20050201 First Principles Calculations of Melting Temperatures for Free Na Clusters S. Chacko, D. G. Kanhere, and S. A. Blundell [270K pdf]
TR-20041020 Structures, Energetics, and Magnetic Properties of NinB Clusters with n=1–8,12 Mrinalini Deshpande, D. G. Kanhere, and Ravindra Pandey [607K pdf]
TR-20031211 Why Do Gallium Clusters Have a Higher Melting Point than the Bulk? S. Chacko, Kavita Joshi, D. G. Kanhere, and S. A. Blundell [162K pdf]
TR-20030915 Evolution of the Structural and Bonding Properties of Aluminum-Lithium Clusters S. Chacko, D. G. Kanhere, and V. V. Paranjape [786K pdf]


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