D. Kanhere

发表

Emergence of noncollinear magnetic ordering in small magnetic clusters: Mn n and As@Mn n

A. Mookerjee, M. Kabir, D. Kanhere, 2007, 0707.3825.

STATIC AND DYNAMICAL PROPERTIES OF A SINGLE IMPURITY IN A STRONGLY CORRELATED HOST

Mihir Arjunwadkar, P. Durganandini, D. Kanhere, 1999 .

Slater transition state calculations of Auger energies for some simple metals in atom in jellium model

D. Kanhere, S. J. Mali, 1986 .

Large magnetic moments and anomalous exchange coupling in As-doped Mn clusters

A. Mookerjee, M. Kabir, D. Kanhere, 2006 .

Small cluster studies of the lattice Anderson model

Hai-Qing Lin, J. Callaway, D. Kanhere, 1993 .

Structural, electronic, and bonding properties of zeolite Sn-beta: a periodic density functional theory study.

S. Pal, A. Goursot, S. Shetty, 2005, Chemistry.

Electronic structure of spinel oxides: zinc aluminate and zinc gallate

R. Pandey, D. Kanhere, S. Sampath, 1999 .

Magnetic Compton profile of nickel

V. Sundararajan, D. Kanhere, 1991 .

Calculation of spin-dependent momentum distributions in iron: Compton scattering and positron annihilation

V. Sundararajan, D. Kanhere, R. M. Singru, 1991 .

Calculation of momentum distributions in paramagnetic chromium: compton scattering and positron annihilation

V. Sundararajan, D. Kanhere, R. M. Singru, 1992 .

Calculation of electronic properties of some solids using the non-local density approximation

V. Singh, D. Kanhere, S. J. Mali, 1988 .

Electronic and structural investigations of gold clusters doped with copper: Aun-1Cu- (n=13-19).

Kavita Joshi, D. Kanhere, S. Zorriasatein, 2008, The Journal of chemical physics.

Size-sensitive melting characteristics of gallium clusters: Comparison of experiment and theory for Ga 17 + and Ga 20 +

M. Jarrold, G. Breaux, S. Krishnamurty, 2005, cond-mat/0507511.

Compton profiles for neon and argon from Xα wavefunctions

P. V. Panat, D. Kanhere, A. Harmalkar, 1980 .

Ab initio linear scaling method for electronic structure calculations via local scaling transformations

E. V. Ludeña, V. Karasiev, D. Kanhere, 2000 .

Density functional investigations of electronic structure and dehydrogenation reactions of Al- and Si-substituted magnesium hydride.

S. Pal, D. Kanhere, T. Kelkar, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Ab initiodensity functional investigation ofB24clusters: Rings, tubes, planes, and cages

I. Boustani, D. Kanhere, S. Chacko, 2003, physics/0305103.

Ab Initio Studies on the Hydrogenation at the Edges and Bulk of Graphene

M. Katsnelson, O. Eriksson, B. Sanyal, 2012 .

Geometry, electronic properties, and thermodynamics of pure and Al-doped Li clusters

K. Lau, Haiying He, S Gowtham, 2006, cond-mat/0609215.

Ab initiodensity functional investigation ofB24clusters: Rings, tubes, planes, and cages

I. Boustani, I. Boustani, D. Kanhere, 2003, physics/0305103.

Melting of Aluminum Cluster Cations with 31−48 Atoms: Experiment and Theory†

M. Jarrold, Anne K. Starace, S. Krishnamurty, 2007 .

Finite temperature behavior of impurity doped Lithium cluster, Li6Sn

Kavita Joshi, D. Kanhere, 2003, cond-mat/0305522.

Density functional analysis of the structural evolution of Gan (n=30-55) clusters and its influence on the melting characteristics.

S. Krishnamurty, Kavita Joshi, D. Kanhere, 2007, The Journal of chemical physics.

Thermodynamics of tin clusters

Kavita Joshi, D. Kanhere, S. Blundell, 2002, cond-mat/0211529.

Density Functional Investigations of Defect-Induced Mid-Gap States in Graphane

D. Kanhere, B. Pujari, 2009, 0908.2730.

Why do gallium clusters have a higher melting point than the bulk?

Kavita Joshi, D. Kanhere, S. Blundell, 2003, Physical review letters.

Ground state geometries and energetics of ALnLi (n = 1, 13) clusters using ab initio density-based molecular dynamics

G. P. Das, C. Majumder, Vaishali Shah, 1996 .

Ab initio molecular dynamics via density based energy functionals

Vaishali Shah, D. Kanhere, D. Nehete, 1994, cond-mat/9407040.

Size dependent tunnel diode effects in gold tipped CdSe nanodumbbells.

Ashok Kumar, Anjali Kshirsagar, D. Kanhere, 2017, The Journal of chemical physics.

Finite-temperature behavior of small silicon and tin clusters: An ab initio molecular dynamics study

S. Krishnamurty, Kavita Joshi, D. Kanhere, 2005, cond-mat/0507075.

First-principles investigation of finite-temperature behavior in small sodium clusters.

D. Kanhere, Mal‐Soon Lee, S. Chacko, 2005, The Journal of chemical physics.

Enhanced magnetic moment in Fe-doped Pdn clusters (n = 1–13): a density functional study

G. P. Das, D. Kanhere, Sonali Barman, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Ferromagnetism in carbon-doped zinc oxide systems.

D. Kanhere, S. Chacko, B. J. Nagare, 2009, The journal of physical chemistry. A.

Role of apex oxygen and redox elements in high temperature superconductors

R. E. Amritkar, P. V. Panat, A. Sinha, 1991 .

X-ray form factors and Compton profiles for some solids derived using an atom-in-jellium-vacancy model

D. Kanhere, S. J. Mali, R. M. Singru, 1992 .

Effect of different density functionals on the core-level binding energies in some metals

D. Kanhere, S. J. Mali, R. M. Singru, 1987 .

Electronic structure of some heteronuclear diatomic molecules in the local spin density approximation

J. Callaway, A. Ziegler, D. Kanhere, 1985 .

Electron momentum distribution in nickel and copper employing a renormalized free atom model

D. Kanhere, R. M. Singru, 1975 .

A comparative study of structural, acidic and hydrophilic properties of Sn-BEA with Ti-BEA using periodic density functional theory.

S. Pal, A. Goursot, S. Shetty, 2008, The journal of physical chemistry. B.

Structural, electronic, and bonding properties of zeolite Sn-beta: a periodic density functional theory study.

S. Pal, A. Goursot, S. Shetty, 2005, Chemistry.

Cohesive, electronic and magnetic properties of the transition metal aluminides FeAl CoAl and NiAl

G. P. Das, P. V. Panat, B. Sahu, 1995 .

Periodic Anderson Model for Small Clusters

J. Callaway, D. Kanhere, P. Misra, 1987 .

Structure, electronic properties, and magnetic transition in manganese clusters

A. Mookerjee, M. Kabir, D. Kanhere, 2006, physics/0606032.

An ab initio molecular dynamics investigation of clusters

G. P. Das, C. Majumder, Vaishali Shah, 1997 .

Systematics of the electron momentum distributions in some 3d transition metals

D. Kanhere, R. M. Singru, 1977 .

The effects of electronic structure and charged state on thermodynamic properties: an ab initio molecular dynamics investigations on neutral and charged clusters of Na(39), Na(40), and Na(41).

S. M. Ghazi, D. Kanhere, Mal‐Soon Lee, 2008, The Journal of chemical physics.

Far-infrared absorption of water clusters by first-principles molecular dynamics.

S. Scandolo, F. Baletto, D. Kanhere, 2008, The Journal of chemical physics.

Electronic structure of many-electron square-well quantum dots with and without an attractive impurity : Spin-density-functional theory

Kavita Joshi, D. Kanhere, S. Blundell, 2007 .

Electronic structure of spinel oxides: zinc aluminate and zinc gallate

R. Pandey, D. Kanhere, S. Sampath, 1999 .

Pairing in finite cluster models

J. Callaway, D. Kanhere, D. Chen, 1990 .

Configuration interaction method for model Hamiltonian clusters

Mihir Arjunwadkar, D. Kanhere, 1991 .

Approach to the electronic structure of antiferromagnets

J. Callaway, D. Kanhere, A. Kolchin, 1994 .

Aromaticity and antiaromaticity of LixAl4 clusters: Ring current patterns versus electron counting

P. Fowler, R. Havenith, S. Pal, 2004 .

A systematic study of electronic structure from graphene to graphane

B. Sanyal, S. Haldar, D. Kanhere, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Polarizability of few electron quantum dots: Extended coupled-cluster response approach

S. Pal, D. Kanhere, N. Vaval, 2013 .

Impurity effects on the electronic structure of square quantum dots : A full configuration-interaction study

Kavita Joshi, D. Kanhere, S. Blundell, 2008 .

Electronic structure of spherical quantum dots using coupled cluster method.

S. Pal, D. Kanhere, B. Pujari, 2007, The Journal of chemical physics.

Fluorine intercalated graphene: Formation of a two-dimensional spin lattice through pseudoatomization

B. Nanda, S. Yadav, D. Kanhere, 2020, 2005.09888.

Structures, energetics and magnetic properties of (NiSn)n clusters with n = 1–6

M. Deshpande, D. Kanhere, V. Shewale, 2009 .

Equilibrium geometries, electronic structure, and magnetic properties of Ni n Sn clusters (n=1-12)

M. Deshpande, D. Kanhere, S. Roy, 2007 .

Structures, energetics and magnetic properties of (NiSn) n clusters with n = 1–6

R. Pandey, M. Deshpande, D. Kanhere, 2005 .

First principles calculations of thermal equations of state and thermodynamical properties of MgH2 at finite temperatures

S. Pal, D. Kanhere, T. Kelkar, 2008 .

Electronic structure of the spin gapless material Co-doped PbPdO2

P. Sen, P. Srivastava, D. Kanhere, 2013 .

Self-consistent LCGO calculation of positron annihilation in copper

J. Callaway, V. Sundararajan, D. Kanhere, 1988 .

Density functional theory of positron annhilation in solids

D. Kanhere, 1987 .

Structural, electronic, mechanical, and transport properties of phosphorene nanoribbons: Negative differential resistance behavior

P. Sen, Anjali Kshirsagar, D. Kanhere, 2016 .

Metallic clusters on a model surface : Quantum versus geometric effects

S. Haldar, D. Kanhere, S. Blundell, 2011, 1210.0462.

Ab initio absorption spectra of Al n (n=2-13) clusters

R. Martin, I. Vasiliev, M. Deshpande, 2003 .

Density functional investigation of the interaction of acetone with small gold clusters.

Vaishali Shah, S. Krishnamurty, S. Shetty, 2007, The Journal of chemical physics.

Xα approach to the atom in jellium model

D. Kanhere, S. J. Mali, V. A. Singh, 1988 .

Calculation of X‐Ray Photoemission Shifts for Some Metallic Elements Using Slater's Transition State Theory

D. Kanhere, S. J. Mali, 1984 .

Application of slater's transition state theory to the core-level binding energies of simple metals in atom in jellium model

D. Kanhere, S. J. Mali, G. S. Sohoni, 1984 .

Thermodynamic properties of Ga27Si3 cluster using density functional molecular dynamics.

S. M. Ghazi, Seyed Mohammad Ghazi, D G Kanhere, 2012, The journal of physical chemistry. A.

A study of electronic and bonding properties of Sn doped Li n clusters and aluminum based binary clusters through electron localization function

S. Pal, S. Shetty, D. Kanhere, 2003 .

Growth and structural properties of Mg(N) (N = 10-56) clusters: density functional theory study.

S. Goedecker, Sandip De, S. M. Ghazi, 2011, Journal of Physical Chemistry A.

Electron momentum distribution in palladium

D. Kanhere, R. M. Singru, 1975 .

Self-interaction-corrected Compton profiles of Ne and Ar

D. Kanhere, V. Sawant, 1984 .

Abnormally high melting temperature of the Sn 10 cluster

Kavita Joshi, D. Kanhere, S. Blundell, 2002 .

Density functional study of structural and electronic properties of NanMg (1⩽n⩽12) clusters

T. Baruah, R. Zope, D. Kanhere, 2001 .

Magnetic impurities in graphane with dehydrogenated channels

B. Sanyal, S. Haldar, D. Kanhere, 2012, 1210.0465.

Ab initio investigation of structural and electronic properties of selenium and tellurium clusters

Tamanna Sharma, Raman Sharma, D. Kanhere, 2019, The European Physical Journal B.

Ab initio molecular dynamical investigation of the finite temperature behavior of the tetrahedral Au19 and Au20 clusters.

M. Ford, S. Krishnamurty, D. Kanhere, 2006, The journal of physical chemistry. A.

Dynamical Investigation of the Finite Temperature Behavior of the Tetrahedral Au 19 and Au 20 Clusters

S. Krishnamurty, D. Kanhere, G. Shafai, 2014 .

Relation between the Dynamics of Glassy Clusters and Characteristic Features of their Energy Landscape

Stefan Goedecker, Bastian Schaefer, Sandip De, 2014 .

Structural and electronic properties of sodium clusters under confinement

D. Kanhere, S. Chacko, B. J. Nagare, 2015 .

Evolution of the structural and bonding properties of aluminum-lithium clusters

V. Paranjape, D. Kanhere, S. Chacko, 2003, physics/0309101.

Competition between columnar pins and vortex screening: A doubly reentrant phase diagram

N. Trivedi, D. Kanhere, Ajay Nandgaonkar, 2002 .

Clustering behaviour in bimetallic clusters: a density functional theory based molecular dynamics study

G. P. Das, C. Majumder, S. K. Kulshreshtha, 1999 .

Ab-initio Molecular Dynamics Study of Impurity in Metal Clusters : NanAl (n=l−10)

Vaishali Shah, D. Kanhere, A. Dhavale, 1998 .

Intercluster reactivity of metalloaromatic and antiaromatic compounds and their applications in molecular electronics: a theoretical investigation.

S. Pal, S. Shetty, D. Kanhere, 2005, The journal of physical chemistry. A.

Metallo-Antiaromatic Al4Na4 and Al4Na3- Compounds: A Theoretical Investigation

S. Pal, S. Shetty, D. Kanhere, 2003, cond-mat/0305553.

On the relative abundances of Cavansite and Pentagonite

Mihir Arjunwadkar, R. Duraiswami, D. Kanhere, 2023, 2308.06825.

Competition between columnar pins and vortex screening: A doubly reentrant phase diagram

N. Trivedi, D. Kanhere, Ajay Nandgaonkar, 2001, cond-mat/0111361.

A systematic study of electronic structure from graphene to graphane

B. Sanyal, S. Haldar, D. Kanhere, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Density Functional Investigations of Defect-Induced Mid-Gap States in Graphane

D. Kanhere, B. Pujari, 2009, 0908.2730.

Ground-state geometries and stability of impurity doped clusters: Li n Be and Li n Mg (n=1-12)

R. Zope, M. Deshpande, D. Kanhere, 2000 .

The effect of ionization on the global minima of small and medium sized silicon and magnesium clusters.

Stefan Goedecker, Luigi Genovese, S Alireza Ghasemi, 2010, The Journal of chemical physics.

Large Magnetic Moments of Arsenic-Doped Mn Clusters and their Relevance to Mn-Doped III-V Semiconductor Ferromagnetism

A. Mookerjee, M. Kabir, D. Kanhere, 2005, physics/0503009.