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Now showing items 1-7 of 7

Understanding the ML black box with simple descriptors to predict cluster–adsorbate interaction energy

Agarwal, Sheena; Mehta, Shweta; Joshi, Kavita (Royal Society of Chemistry, 2023-01-02)
Lowering the C–H bond activation barrier of methane by means of SAC@Cu(111): periodic DFT investigations

Bhati, Meema; Dhumala, Jignesh; Joshi, Kavita (Royal Society of Chemistry, 2023-01-02)
From molecular adsorption to decomposition of methanol on various ZnO facets: a periodic DFT study

Mehta, Shweta; Joshi, Kavita (Elsevier, 2023-01-02)
The nature of electrophilic oxygen: Insights from periodic density functional theory investigations

Kenge, Nivedita; Pitale, Sameer; Joshi, Kavita (Elsevier, 2023-01-02)
Experimental and theoretical investigations of the effect of heteroatom-doped carbon microsphere supports on the stability and storage capacity of nano-Co3O4 conversion anodes for application in lithium-ion batteries

Dwivedi, Pravin K.; Nair, Aathira; Mehare, Rupali S.; Chaturvedi, Vikash; Joshi, Kavita; Shelke, Manjusha V. (Royal Society of Chemistry, 2023-01-02)
Rationalizing the role of structural motif and underlying electronic structure in the finite temperature behavior of atomic clusters

Susan, Anju; Joshi, Kavita (American Institute of Physics, 2023-01-02)
Role of facet in the competitive pathway of ethylene epoxidation

Nair, Aathira; Kenge, Nivedita; Joshi, Kavita (Elsevier, 2023-01-02)

Now showing items 1-7 of 7