Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Natte Kavitha"'
Publikováno v:
Chemical Physics Impact, Vol 8, Iss , Pp 100602- (2024)
Computational and experimental investigation of synthesized Zn(II) complex. Salicylaldehyde semicarbazone (SSC) and ortho phenylene diamine (OPDA) were the ligands for the preparation of Zn(II) metal complex. Using quantum chemistry simulations at DF
Externí odkaz:
https://doaj.org/article/506a9e619e7a4d09a6a06efba8bbc671
Publikováno v:
International Journal of Scientific Research in Science and Technology. :637-643
Viruses have been the cause of some of the world's worst and most dreadful diseases. COVID-19 is one of them, and it is the name given to the novel corona virus discovered in 2019. Due to the unavailability of any proven treatment, there is an urgent
Autor:
null Rakesh Sreerama, Satheesh Kumar Nukala, Vasudeva Reddy Nagavelli, Natte Kavitha, Sirassu Narsimha
Publikováno v:
Russian Journal of Bioorganic Chemistry.
Autor:
Natte Kavitha, Munagala Alivelu
Publikováno v:
Polycyclic Aromatic Compounds. 43:1495-1508
Publikováno v:
Polycyclic Aromatic Compounds. 42:5534-5549
The title compound 2-mercapto benzimidazole (MBI) was deliberated optimal structure, data were calculated using the density functional theory (DFT) B3LYP method on 6-311++G (d, p) basis set. The structural parameters were derived from geometry optimi
Autor:
Sandhya Rani Bandi, Natte Kavitha, Satheesh Kumar Nukala, Narasimha Swamy Thirukovela, Ravinder Manchal, Rambabu Palabindela, Sirassu Narsimha
Publikováno v:
Journal of Molecular Structure. 1274:134378
Autor:
Natte Kavitha, Munagala Alivelu
Publikováno v:
Computational and Theoretical Chemistry. 1201:113287
In this work, the FT-IR spectra of synthesized molecule Salicilaldehyde Semicarbazone (SASC) was characterized by using density functional theory (DFT) with B3LYP/6–311++ G (d, p) basis set. Natural Bond Orbital (NBO) analysis, Non-Linear Optical (