Publications
Research Publications
Research Publications
Rita Kakkar, Bharti Badhani, Mamta Bhandari (2023) Density functional theory study of the antioxidant activity of glutathione: reaction with alloxan and its derivatives. Comput. Theor. Chem., 1230, 114374.
Rita Kakkar, Bharti Badhani, Mamta Bhandari (2023) Density functional theory study of the antioxidant activity of glutathione: reaction with alloxan and its derivatives. Comput. Theor. Chem., 1230, 114374.
Neha Sharma, Bharti Badhani, Bhashyam Vaijayanthi, Priyanka Aggarwal & Anshika Gupta (2023) Conceptualizing the essence of protein–ligand interaction at undergraduate level: reinforcing computational skills. J. Chem. Educ., 100, 2746.
Neha Sharma, Bharti Badhani, Bhashyam Vaijayanthi, Priyanka Aggarwal & Anshika Gupta (2023) Conceptualizing the essence of protein–ligand interaction at undergraduate level: reinforcing computational skills. J. Chem. Educ., 100, 2746.
Jogender, Bharti Badhani, Mandeep & Rita Kakkar (2020) A DFT – D2 study on the adsorption of phosgene derivatives and chloromethyl chloroformate on pristine and Fe4-decorated graphene. J. Mol. Graph. Model., 101, 107754.
Jogender, Bharti Badhani, Mandeep & Rita Kakkar (2020) A DFT – D2 study on the adsorption of phosgene derivatives and chloromethyl chloroformate on pristine and Fe4-decorated graphene. J. Mol. Graph. Model., 101, 107754.
Jogender, Mandeep, Bharti Badhani & Rita Kakkar (2020) Adsorption of methyl isocyanate on M4 (M = Fe, Ni and Cu) cluster – decorated graphene and vacancy graphene: A DFT – D2 study. Struct. Chem., 31, 1983 – 1997.
Jogender, Mandeep, Bharti Badhani & Rita Kakkar (2020) Adsorption of methyl isocyanate on M4 (M = Fe, Ni and Cu) cluster – decorated graphene and vacancy graphene: A DFT – D2 study. Struct. Chem., 31, 1983 – 1997.
Bharti Badhani & Rita Kakkar (2017) Structural, Electronic and Reactivity Parameters of Some Triorganotin(IV) Carboxylates: A DFT Analysis. Struct. Chem., 29, 753 – 763.
Bharti Badhani & Rita Kakkar (2017) Structural, Electronic and Reactivity Parameters of Some Triorganotin(IV) Carboxylates: A DFT Analysis. Struct. Chem., 29, 753 – 763.
Bharti Badhani & Rita Kakkar (2017) Influence of Intrinsic and Extrinsic Factors on the Antiradical Activity of Gallic Acid: A Theoretical Study. Struct. Chem., 29, 359 – 373.
Bharti Badhani & Rita Kakkar (2017) Influence of Intrinsic and Extrinsic Factors on the Antiradical Activity of Gallic Acid: A Theoretical Study. Struct. Chem., 29, 359 – 373.
Bharti Badhani & Rita Kakkar (2017) DFT Study of Structural and Electronic Properties of Gallic acid and its Anions in Gas Phase and in Aqueous Solution. Struct. Chem., 28, 1789 – 1802.
Bharti Badhani & Rita Kakkar (2017) DFT Study of Structural and Electronic Properties of Gallic acid and its Anions in Gas Phase and in Aqueous Solution. Struct. Chem., 28, 1789 – 1802.
Bharti Badhani & Rita Kakkar (2016) In silico Studies on Potential MCF-7 Inhibitors: A Combination of Pharmacophore and 3D-QSAR Modeling, Virtual Screening, Molecular Docking and Pharmacokinetic Analysis. J. Biomol. Struct. Dyn., 35, 1950 – 1967.
Bharti Badhani & Rita Kakkar (2016) In silico Studies on Potential MCF-7 Inhibitors: A Combination of Pharmacophore and 3D-QSAR Modeling, Virtual Screening, Molecular Docking and Pharmacokinetic Analysis. J. Biomol. Struct. Dyn., 35, 1950 – 1967.
Bharti Badhani, Neha Sharma & Rita Kakkar (2015) Gallic acid: A Versatile Antioxidant with Promising Therapeutic and Industrial Applications. RSC Adv., 5, 27540 – 27557.
Bharti Badhani, Neha Sharma & Rita Kakkar (2015) Gallic acid: A Versatile Antioxidant with Promising Therapeutic and Industrial Applications. RSC Adv., 5, 27540 – 27557.
Rita Kakkar, Smriti Sharma & Bharti Badhani (2014) Density Functional Study of Functionalization of Carbon Nanotubes with Carbenes. Can. Chem. Trans., 2, 434 – 449.
Rita Kakkar, Smriti Sharma & Bharti Badhani (2014) Density Functional Study of Functionalization of Carbon Nanotubes with Carbenes. Can. Chem. Trans., 2, 434 – 449.
Other Publications
Other Publications
Content Writer (Second Author in 14 Modules) in e-PG Pathshala (Chemistry) - A Centrally sponsored scheme of National Mission on Education through ICT (NMEICT) of MHRD (GoI) through UGC.
Content Writer (Second Author in 14 Modules) in e-PG Pathshala (Chemistry) - A Centrally sponsored scheme of National Mission on Education through ICT (NMEICT) of MHRD (GoI) through UGC.