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Mrinalini D. Deshpande
Mrinalini D. Deshpande
Dept. of Physics, Michigan Tech University
Verified email at mtu.edu
Title
Cited by
Cited by
Year
Structural and Electronic Properties of (Al2O3) n Clusters with n= 1–10 from First Principles Calculations
AB Rahane, MD Deshpande, V Kumar
The Journal of Physical Chemistry C 115 (37), 18111-18121, 2011
932011
Ab initio absorption spectra of Al_ {n}(n= 2–13) clusters
MD Deshpande, DG Kanhere, I Vasiliev, RM Martin
Physical Review B 68 (3), 035428, 2003
842003
Sensing Characteristics of Phosphorene Monolayers toward PH3 and AsH3 Gases upon the Introduction of Vacancy Defects
MS Mahabal, MD Deshpande, T Hussain, R Ahuja
The Journal of Physical Chemistry C 120 (36), 20428-20436, 2016
762016
Structures, energetics, and magnetic properties of Ni_ {n} B clusters with n= 1–8, 12
M Deshpande, DG Kanhere, R Pandey
Physical Review A 71 (6), 063202, 2005
622005
Cs2TlBiI6: a new lead-free halide double perovskite with direct band gap
S Nair, M Deshpande, V Shah, S Ghaisas, S Jadkar
Journal of Physics: Condensed Matter 31 (44), 445902, 2019
512019
Structural, energetic, electronic, bonding, and vibrational properties of Ga3O, Ga3O2, Ga3O3, Ga2O3, and GaO3 clusters
S Gowtham, M Deshpande, A Costales, R Pandey
The Journal of Physical Chemistry B 109 (31), 14836-14844, 2005
502005
Ground-state geometries and stability of impurity doped clusters: Li_ {n} Be and Li_ {n} Mg (n= 1–12)
M Deshpande, A Dhavale, RR Zop, S Chacko, DG Kanhere
Physical Review A 62 (6), 063202, 2000
492000
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, ...
The Journal of Physical Chemistry C 115 (21), 10426-10430, 2011
482011
A theoretical study of vibrational properties of neutral and cationic B12 clusters
KC Lau, M Deshpande, R Pandey
International journal of quantum chemistry 102 (5), 656-664, 2005
452005
Density-functional study of structural and electronic properties of Na_ {n} Li and Li_ {n} Na (1<~ n<~ 12) clusters
MD Deshpande, DG Kanhere, I Vasiliev, RM Martin
Physical Review A 65 (3), 033202, 2002
402002
A theoretical study of electronic and vibrational properties of neutral, cationic, and anionic B24 clusters
KC Lau, M Deshpande, R Pati, R Pandey
International journal of quantum chemistry 103 (6), 866-874, 2005
382005
Band gap engineering in PbO nanostructured thin films by Mn doping
VN Suryawanshi, AS Varpe, MD Deshpande
Thin Solid Films 645, 87-92, 2018
372018
Structural and electronic properties of aluminum-based binary clusters
S Chacko, M Deshpande, DG Kanhere
Physical Review B 64 (15), 155409, 2001
352001
Structure, energetics, electronic, and hydration properties of neutral and anionic Al3O6, Al3O7, and Al3O8 clusters
S Gowtham, KC Lau, M Deshpande, R Pandey, AK Gianotto, ...
The Journal of Physical Chemistry A 108 (23), 5081-5090, 2004
322004
Binding strength of sodium ions in cellulose for different water contents
MD Deshpande, RH Scheicher, R Ahuja, R Pandey
The Journal of Physical Chemistry B 112 (30), 8985-8989, 2008
312008
Density Functional Calculations of the Structural and Electronic Properties of (Y2O3)n0,±1 Clusters with n = 1–10
AB Rahane, PA Murkute, MD Deshpande, V Kumar
The Journal of Physical Chemistry A 117 (26), 5542-5550, 2013
282013
Sensing Characteristics of a Graphene‐like Boron Carbide Monolayer towards Selected Toxic Gases
MS Mahabal, MD Deshpande, T Hussain, R Ahuja
ChemPhysChem 16 (16), 3511-3517, 2015
262015
Investigating CO2 storage properties of C2N monolayer functionalized with small metal clusters
SS Deshpande, MD Deshpande, T Hussain, R Ahuja
Journal of CO2 Utilization 35, 1-13, 2020
232020
Magnetic properties of Ni _ {13-n}Al _{n} clusters with n= 0–13
MD Deshpande, R Pandey, MA Blanco, A Khalkar
Journal of Nanoparticle Research 12 (4), 1129-1136, 2010
23*2010
Equilibrium geometries, electronic structure, and magnetic properties of Ni_ {n} Sn clusters (n= 1–12)
MD Deshpande, S Roy, DG Kanhere
Physical Review B 76 (19), 195423, 2007
222007
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