Dr. Shailja Jain

Profile

Academic positionPost Doc
Research fieldsTheoretical Inorganic Chemistry,Theoretical Organic Chemistry
KeywordsDFT, Reaction Mechanism, N2 Activation, Ionic Liquids, Main Group Compounds

Current contact address

CountryIndia
CityAmravati
InstitutionVIT-AP University
InstituteDepartment of Chemistry
Homepagehttps://shailjanclwork.wixsite.com/shailja-jain

Host during sponsorship

Prof. Dr. Johannes KästnerInstitut für Theoretische Chemie, Universität Stuttgart, Stuttgart
Start of initial sponsorship01/09/2023

Programme(s)

2023Humboldt Research Fellowship Programme for Postdocs

Publications (partial selection)

2025L.-S. Hornberger, S. Hiotidis, S. Jain, M. Benz, H. Montan, D. P. Estes, J. Kaestner, and F. Adams Influence of the Substitution Pattern of Terpene-Based Seven-Membered Lactones on Yttrium-Mediated Ring-Opening Polymerization: A Kinetic and Mechanistic Investigation. In: Chem. Eur. J. , 2025, e202501380
2025Jain, S.; Danovich, D.; Radenković, S.; Shaik: Unraveling the Bonding and Aromaticity of Pentazole, Pentaphosphole, and Cyclopentadiene Anions: A Comprehensive Study. In: J. Am. Chem. Soc. 147, 2025, 1092-1100
20245. Jain S.; Raj, K.V.; Vanka, K. Book Chapter: Computational studies of Small Molecule Activation Using Low-Valent Group 13 and 14 elements. In: Encyclopedia of Inorganic and Bioinorganic Chemistry, 2024, 1-19
2024Jain S.*; Danovich, D.; Shaik, S.: Dinitrogen Activation within Frustrated Lewis Pairs Is Promoted by Adding External Electric Fields. In: J. Phys. Chem. A, 128, 2024, 4595-4604