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- Hagos W Ghebriel, Anjali Kshirsagar
- The Journal of chemical physics
- 2007

The authors present theoretical results describing the adsorption of H2 and H2S molecules on small neutral and cationic gold clusters (Au(n)((0/+1)), n=1-8) using density functional theory with theâ€¦ (More)

- Hagos Woldeghebriel, Anjali Kshirsagar
- The Journal of chemical physics
- 2007

Results describing the interaction of a single sulfur atom with cationic gold clusters (Au(n) (+), n=1-8) using density functional theory are described. Stability of these clusters is studied throughâ€¦ (More)

- Deepashri A Saraf, Anjali Kshirsagar
- Physical chemistry chemical physics : PCCP
- 2014

We report the electronic structure of free standing and gold attached passivated CdSe nanorods. The goal is to assess the changes at the nanolevel after formation of contacts with gold clustersâ€¦ (More)

Tight Binding (TB) method was first developed by Slater and Koster[1] for band structure calculations. With the advent of nanostructures, the method is experiencing revival due to its computationalâ€¦ (More)

- Somesh Kr Bhattacharya, Prajakta A Deodhar, Ranjani Viswanatha, Anjali Kshirsagar
- Journal of physics. Condensed matter : anâ€¦
- 2010

Calculations of Slater-Koster (SK) parameters appearing in the tight-binding method using sp(3)d(5) basis sets for both the cationic and anionic species are presented for ZnS and CdS. We haveâ€¦ (More)

Financial portfolio optimization is a widely studied problem in mathematics, statistics, financial and computational literature. It adheres to determining an optimal combination of weights that areâ€¦ (More)

We have undertaken a study of diluted magnetic semiconductors Ga1âˆ’xMnxN and Ga1âˆ’xCrxN with x = 0.0625, 0.125, using the all electron linearized augmented plane wave method (LAPW) for differentâ€¦ (More)

- Pravin P Ingole, Vladimir Lesnyak, +4 authors Alexander EychmÃ¼ller
- Chemphyschem : a European journal of chemicalâ€¦
- 2016

The absolute electronic energy levels in Hg-doped CdTe semiconductor nanocrystals (CdHgTe NCs) with varying sizes/volumes and Hg contents are determined by using cyclic voltammetry (CV) measurementsâ€¦ (More)

- Manoj K. Harbola, Rajendra R. Zope, Anjali Kshirsagar, Rajeev Kumar Pathak
- The Journal of chemical physics
- 2005

Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking aâ€¦ (More)

- Deepashri A Saraf, Ashok Kumar, Dilip Kanhere, Anjali Kshirsagar
- The Journal of chemical physics
- 2017

We report simulation results for scanning tunneling spectroscopy of gold-tipped CdSe nanodumbbells of lengths âˆ¼27 Ã… and âˆ¼78 Ã…. Present results are based on Bardeen, Tersoff, and Hamann formalism thatâ€¦ (More)