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From molecular adsorption to decomposition of methanol on various ZnO facets: a periodic DFT study

Mehta, Shweta; Joshi, Kavita (Elsevier, 2023-01-02)
Electronic fingerprints for diverse interactions of methanol with various Zn-based systems

Mehta, Shweta (Wiley VCH, 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)
Correlation between the variation in observed melting temperatures and structural motifs of the global minima of gallium clusters: an ab initio study

Susan, Anju; Kibey, Aniruddha; Kaware, Vaibhav; Joshi, Kavita (American Institute of Physics, 2023-01-02)
Studies on heterogenization of metal complex catalysts by encapsulation in zeolites and mesoporous materials

Mukhopadhyay, K. (CSIR-National Chemical Laboratory, Pune, 01-12-2003)
Syntheses and catalytic applications of pincer-ligated nickel, palladium and copper complexes

Pandiri, H. (CSIR-National Chemical Laboratory, Pune, 27-06-2018)
Annual report: 1965-66

National Chemical Laboratory, Poona (CSIR-National Chemical Laboratory, Pune, 1965)
Metal-organofunctionalized SBA-15 catalysts for fine chemical syntheses

Lazar, A. (CSIR-National Chemical Laboratory, Pune, 2018-01-29)
Towards bridging the material gap between real-world catalysts and ideal single crystal surfaces on ceria based solid solution

Dubey, A. (CSIR-National Chemical Laboratory, Pune, 06-2016)
Role of the ground state structural motif in the finite temperature behaviour of small atomic clusters: born-oppenheimer molecular dynamics investigations

Susan, A. (CSIR-National Chemical Laboratory, Pune, 2017)

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