Division

Ab-initio and DFT investigations of hydrogen storage

Dixit, M. (CSIR-National Chemical Laboratory, Pune, 01-11-2013)

Activation of small molecules via organometallic pincer catalysts and small rhodium clusters (pure and doped): a density functional theory approach

Ghatak, K. (CSIR-National Chemical Laboratory, Pune, 10-08-2015)

Active interface engineered oxygen electrocatalysts for electrochemical energy applications

Manna, N. (CSIR-National Chemical Laboratory, Pune, 2022-05-31)

Adiabatic compressibility of polyelectrolytes and other allied macromolecules

Kale, K. M. (CSIR-National Chemical Laboratory, Poona, 01-03-1972)

Alkaline earth metal alloys of Cu for enhanced catalytic activity toward CO2 hydrogenation

Thakkar, Kavita; Joshi, Kavita (2022-12-27)

CO2, a well-known greenhouse gas, is a potential raw material used to produce various chemicals. Dissociation of CO2 to CO or hydrogenation to formate (HCOO) or carboxyl (COOH) intermediate is crucial in determining the ...

Alkylation reactions of aromatic hydrocarbons over ZSM5 zeolites

Chandavar, K. H. (CSIR-National Chemical Laboratory, Pune, 01-01-1983)

Arresting an Unusual Amide Tautomer Using Divalent Cations

Kashid, Somnath; Singh, Reman; Kwon, Hyejin; Kim, Yung Sam; Mukherjee, Arnab; Bagchi, Sayan (The Journal of Physical Chemistry B, 2019-09-18)

Ion-specific effects on peptides and proteins are key to biomolecular structure and stability. The subtle roles of the cations are far less understood, compared to the pronounced effects of the anions on proteins. Most ...

Association–Dissociation Dynamics of Ionic Electrolytes in Low Dielectric Medium

Ghosh, Deborin; Sakpal, Sushil; Chatterjee, Srijan; Deshmukh, Samadhan; Kwon, Hyejin; Kim, Yung Sam; Bagchi, Sayan (The Journal of Physical Chemistry B, 2021-12-27)

Ionic electrolytes are known to form various complexes which exist in dynamic equilibrium in a low dielectric medium. However, structural characterization of these complexes has always posed a great challenge to the ...

Boosting hydrogen production at room temperature by synergizing theory and experimentation

Thakkar, Kavita; Bajpai, Abhinav; Kumar, Sushant; Joshi, Kavita (2024)

C-C bond formation and electron-proton transfer reactions in unusual media

Manna, A. (CSIR-National Chemical Laboratory, Pune, 01-09-2014)

Calculation of properties using relativistic coupled cluster theory for atoms and molecules

Pathak, H. (CSIR-National Chemical Laboratory, Pune, 26-10-2015)

Calorimetric study on self-association of isomeric butylamines and their interactions with methanol

Pradhan, S. D. (CSIR-National Chemical Laboratory, Poona, 01-06-1977)

Carbon nanofiber based hybrid materials for PEMFC applications

Beena, K. B. (CSIR-National Chemical Laboratory, Pune, 22-08-2013)

Catalytic reactions over zsm-5 zeolites

Balakrishanan, I. (CSIR-National Chemical Laboratory, Pune, 01-01-1985)