Recent advances in DFT assisted optimized energy, stability and distortions of optimized topologies of certain biopotent dimethyltin (IV) complexes
K Soni, S Saxena, A Jain - Journal of the Indian Chemical Society, 2022 - Elsevier
The generation, structural elucidation, reactivity, bonding, stability, optimized energy,
distortions of optimized topologies of some non-bridged mononuclear and carboxylate …
distortions of optimized topologies of some non-bridged mononuclear and carboxylate …
De novo unified robust antidiabetic pharmacophores based on biopotent hybrid material: DFT‐assisted design, optimized molecular structure, and understanding …
A Kumawat, K Soni, S Saxena… - Applied Organometallic …, 2023 - Wiley Online Library
De novo unified robust antidiabetic pharmacophores based on hybrid material were
rationally designed, generated, and characterized by spectroscopic evidences and DFT …
rationally designed, generated, and characterized by spectroscopic evidences and DFT …
Deciphering mechanistic implications of antimicrobial and antioxidant potentials of certain new dibutyltin (IV) formulations as possible therapeutic options based on …
K Soni, S Saxena, A Jain - Journal of Biochemical and …, 2023 - Wiley Online Library
Mechanistic implications of antimicrobial and in vitro antioxidant potentials of a set of newly
generated nonbridged mononuclear N, O‐orthometallated and carboxylate bridged …
generated nonbridged mononuclear N, O‐orthometallated and carboxylate bridged …
Novel organic–inorganic hybrid dimethyltin (IV) complexes of heterocyclic carboxylic acid and N-phthaloyl amino acids: Design, synthesis, spectroscopic …
AM Kumar, S Budania, A Jain - Synthetic Communications, 2024 - Taylor & Francis
Four new organic–inorganic hybrid dimethyltin (IV) complexes (1–4) having general formula
Me2SnAL which were generated by the reaction of dimethyltin (IV) dichloride with sodium …
Me2SnAL which were generated by the reaction of dimethyltin (IV) dichloride with sodium …
Dibutyltin (IV) formulations as potential antitubercular scaffold: DFT assisted emerging advances and mechanism of antitubercular action
K Soni, A Kumawat, S Saxena… - Bulletin of the Chemical …, 2024 - academic.oup.com
The interplay between N, O-orthometallated, O, O′-chelated, and dibutyltin (IV) groups in
biopotent hybrid formulations to combat tuberculosis is deciphered. The present study is …
biopotent hybrid formulations to combat tuberculosis is deciphered. The present study is …
New insights into the predicament of DFT assisted optimized energy, stability and distortions of optimized topologies of some novel complexes of Zirconium (IV) and …
A comprehensive density functional theory (DFT/B3LYP method) investigation was done to
study the generation, optimized topologies, bonding, reactivity, stability, distortions and …
study the generation, optimized topologies, bonding, reactivity, stability, distortions and …
Synergy Between DFT Calculations and Experimental Studies on the Optimized Structures and the Antibacterial Potential of Some Novel Tetra‐and Penta …
The generation, structure, reactivity and antibacterial potential of some tetra‐and penta
coordinated organic‐inorganic hybrid complexes of titanium (IV) were comprehensively …
coordinated organic‐inorganic hybrid complexes of titanium (IV) were comprehensively …
The computational study, thermodynamic parameters, and partial inhibition of spermatogenesis exhibited by toxicophores scaffolds of an organic–inorganic hybrid …
S Sharma, I Mohammad - Applied Organometallic Chemistry, 2022 - Wiley Online Library
The present investigation focused on the structure and demonstration of partial inhibition of
spermatogenesis in male albino rats through pentacoordinate tributyltin (IV) complex of …
spermatogenesis in male albino rats through pentacoordinate tributyltin (IV) complex of …
Organic Modifiers—Chemically Modified Dimethyltindichloride Organic–Inorganic Hybrid Product: Design and Antimicrobial Activity
K Soni, S Saxena, A Jain - … of the Third International Conference on …, 2022 - Springer
Organic modifiers—chemically modified dimethyltindichloride organic–inorganic hybrid
product was generated by the interaction of dimethyltindichloride with sodium salts of the …
product was generated by the interaction of dimethyltindichloride with sodium salts of the …
Fascinating chemistry of mutually compatible symmetrical/asymmetrical and bulky heterocyclic β-diketones-modified zirconocene dichloride: DFT assisted optimized …
K Sharma, K Soni, S Saxena, A Jain - 2024 - nopr.niscpr.res.in
Mutually compatible bulky heterocyclic β-diketones and symmetrical/asymmetrical β-
diketones-modified zirconocene dichloride products of the general formula [Cp2ZrLL'](where …
diketones-modified zirconocene dichloride products of the general formula [Cp2ZrLL'](where …