Zobrazeno 1 - 10
of 108
pro vyhledávání: '"S, Sowrirajan"'
Autor:
C. Geetha Priya, B.R. Venkatraman, S. Sowrirajan, N. Elangovan, Natarajan Arumugam, Abdulrahman I. Almansour, Sakkarapalayam M. Mahalingam
Publikováno v:
Chemical Physics Impact, Vol 7, Iss , Pp 100323- (2023)
The Schiff base was synthesized using the m-bromosalicylaldehyde and ethylenediamine in 1:1 mole ratio. Using the infrared, UV, fluorescence and 1H-13CNMR spectral analysis the m-bromosalicylaldehyde derivative structure was confirmed. Using DFT stud
Externí odkaz:
https://doaj.org/article/0ea96f19857d4022b3180fe8d70bc42a
Autor:
T. Kaviya, P. Rajkumar, N. Elangovan, T. Arulmozhi, S. Sowrirajan, Natarajan Arumugam, Abdulrahman I. Almansour, Sakkarapalayam M. Mahalingam
Publikováno v:
Chemical Physics Impact, Vol 7, Iss , Pp 100315- (2023)
The titled compound TA structure was optimized in B3LYP/cc-pVDZ basis set using Gaussian software. In natural bond orbital analysis the highest stabilization energy is 82.3 kcal/mol, which is confirmed by LP(1)-C19 to antibonding π*(C13-C14). Electr
Externí odkaz:
https://doaj.org/article/6735a497a57747a39c6a48a8e609d134
Autor:
C.Geetha Priya, B.R. Venkatraman, N. Elangovan, M.Dhinesh Kumar, T. Arulmozhi, S. Sowrirajan, Mohammad Shahidul Islam, Jebasingh Bhagavathsingh
Publikováno v:
Chemical Physics Impact, Vol 7, Iss , Pp 100295- (2023)
The absorption studies on serotonin (STO) and platinum metal clusters were investigated. The STO-Pt3 (gas phase) cluster has the maximum adsorption energy, whereas the water medium has the lowest. The gas phase STO-Pt3 absorption energy is -19.18 kca
Externí odkaz:
https://doaj.org/article/0d4b7999c88c4b919feb5e6abbd995df
Publikováno v:
Results in Chemistry, Vol 6, Iss , Pp 101036- (2023)
The complex di(p-methylbenzyl) (dibromo)(4,7-diphenyl-1,10-phenanthroline) tin (IV) complex (B1) was synthesized and characterized. For the theoretical investigation, we used DFT. With the help of the Multiwfn software package, topological analysis a
Externí odkaz:
https://doaj.org/article/650287bbf57d42e6b7dc6522c340f2c3
Autor:
D. Raja Durai, S. Sowrirajan, N. Elangovan, Suliman Yousef Alomar, T. Sankar Ganesan, C. Geetha Priya, B.R. Venkatraman, Asad Nawaz
Publikováno v:
Results in Chemistry, Vol 6, Iss , Pp 101030- (2023)
The compound PYANV was characterized by infrared, UV–Visible, fluorescence, and 1H-13CNMR spectral analysis. The DFT calculation was done in the structure of the molecules. The electronic spectra were done in experimental and calculated (DFT). The
Externí odkaz:
https://doaj.org/article/727621f4cc6b478a9c228335c0e41409
Publikováno v:
Chemical Physics Impact, Vol 7, Iss , Pp 100263- (2023)
Initially, we have done the conformational analysis, total of 564 confirmations were available, we noted highest energy value is 56.499 and the ring energy is 67.982. After getting conformational analysis results, we choose the highest energy value s
Externí odkaz:
https://doaj.org/article/83d92f5a03fd4559b0e731aa998dccf3
Autor:
Elangovan, N., Sankar Ganesan, T., Vignesh, R., Alomar, Suliman Yousef, S., Sowrirajan, Chandrasekar, S., Kalanthoden, Abdul Nasar, Nawaz, Asad
Publikováno v:
In Journal of Molecular Liquids 1 December 2023 391 Part A
Autor:
Thilagavathi, G., Jayachitra, R., Kanagavalli, A., N, Elangovan, Sirajunnisa, A., S, Sowrirajan, Thomas, Renjith
Publikováno v:
In Journal of the Indian Chemical Society January 2023 100(1)
Autor:
J. Geethapriya, Anitha Rexalin Devaraj, K. Gayathri, R. Swadhi, N. Elangovan, S.Manivel, S. Sowrirajan, Renjith Thomas
Publikováno v:
Results in Chemistry, Vol 5, Iss , Pp 100819- (2023)
The compound was synthesized and characterized with Infrared, UV, and NMR studies. The present work is theoretically investigated using WB97XD/aug-cc-pVTZ basis set. The DFT was used to define the molecular structure and geometry of the compound. The
Externí odkaz:
https://doaj.org/article/331865506458496d89a727a8c9f26903
Autor:
N. Elangovan, S. Sowrirajan
Publikováno v:
Heliyon, Vol 7, Iss 8, Pp e07724- (2021)
The Schiff base (E)-4-((2-hydroxy-3,5-diiodobenzylidene)amino)-N-(pyrimidine)-2-yl) benzene sulfonamide (DIDA) compound was synthesis with condensation of 3,5-diiodosalicylaldehyde and sulfadiazine. The compound characterized with FTIR, X-ray crystal
Externí odkaz:
https://doaj.org/article/12c8a277efaf4f7787b6a9b4ce8e40a2