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1

B 84 : a quasi-planar boron cluster stabilized with hexagonal holes

Rahane, Amol B., Kumar, Vijay

Journal:

Year:

2015

Language:

english

File:

PDF, 2.71 MB

english, 2015

2

First Principles Calculations for Structural, Electronic, and Magnetic Properties of Gadolinium-Doped Alumina Clusters

Rahane, Amol B., Deshpande, Mrinalini D., Kumar, Vijay

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 807 KB

english, 2012

3

Time dependent DFT investigation of the optical response in pristine and Gd doped Al 2 O 3

Kumavat, Sandip, Chakraborty, Sudip, Rahane, Amol B., Deshpande, Mrinalini D., Ahuja, Rajeev

Journal:

Year:

2016

Language:

english

File:

PDF, 1.58 MB

english, 2016

4

Density Functional Calculations of the Structural and Electronic Properties of (Y 2 O 3 ) n 0,±1 Clusters with n = 1–10

Rahane, Amol B., Murkute, Punam A., Deshpande, Mrinalini D., Kumar, Vijay

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 4.51 MB

english, 2013

5

Carbon Doping in Boron Suboxide: Structure, Energetics, and Elastic Properties

Rahane, Amol B., Kumar, Vijay, Dunn, Jennifer S., Sinnott, S.

Journal:

Journal of the American Ceramic Society

Year:

2015

Language:

english

File:

PDF, 2.87 MB

english, 2015

6

Electronic Origin of the Stability of Transition-Metal-Doped B 14 Drum-Shaped Boron Clusters and Their Assembly into a Nanotube

Saha, Pinaki, Rahane, Amol B., Kumar, Vijay, Sukumar, N.

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 3.77 MB

english, 2017

7

Structural and Electronic Properties of Neutral and Ionic (Ga 2 O 3 ) n Clusters with n = 1–10

Rahane, Amol B., Deshpande, Mrinalini D.

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 4.36 MB

english, 2012

8

Structural and Electronic Properties of (Al 2 O 3 ) n Clusters with n = 1–10 from First Principles Calculations

Rahane, Amol B., Deshpande, Mrinalini D., Kumar, Vijay

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 5.51 MB

english, 2011

9

Theoretical study of small clusters of manganese-doped gallium oxide: Mn(GaO)nand Mn2(GaO)nwithn

Amol Rahane, Mrinalini Deshpande, Ravindra Pandey

Journal:

Journal of Nanoparticle Research

Year:

2010

Language:

english

File:

PDF, 553 KB

english, 2010

10

Optical Properties of Gallium Oxide Clusters from First-Principles Calculations

Rahane, Amol B., Deshpande, Mrinalini D., Chakraborty, Sudip

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.83 MB

english, 2012

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