Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Ritika Sachdeva"'
Publikováno v:
Lecture Notes in Electrical Engineering ISBN: 9789819902354
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::de163c0cf2e180095ff7306a3da0f9fb
https://doi.org/10.1007/978-981-99-0236-1_30
https://doi.org/10.1007/978-981-99-0236-1_30
Publikováno v:
Advances in Mathematics: Scientific Journal. 9:3865-3877
Autor:
Sukh Dev Dogra, Prabhjot Kaur, S. K. Tripathi, Sukhwinder Singh, Ritika Sachdeva, G. S. S. Saini, Randhir Singh
Publikováno v:
Materials Today: Proceedings. 21:1809-1817
Effect of pyridine on cobalt phthalocyanine (CoPc) has been studied by the density functional theory and Raman spectroscopy. Thermal evaporation method has been used for the preparation of a thin film of CoPc and then Raman spectra of CoPc film have
Autor:
Prabhjot Kaur, Vasant Sathe, Ritika Sachdeva, A. K. Soni, Randhir Singh, G. S. S. Saini, Varinderjit Singh
Publikováno v:
Materials Today: Proceedings. 21:1981-1990
Etoricoxib is one of the non-steroidal anti-inflammatory drug used primarily in the treatment of various types of arthritis. In this work, the vibrational analysis of etoricoxib molecule has been presented using density functional theory calculations
Autor:
Nazilla Soleimanioun, Randhir Singh, G. S. S. Saini, Sukhwinder Singh, Prabhjot Kaur, Ritika Sachdeva
Publikováno v:
Journal of Molecular Structure. 1175:314-334
The optimized geometry and vibrational frequencies of an organic compound copper phthalocyanine tetrasulfonic acid tetra sodium salt (CuPcTS) have been investigated using density functional theory. We have also optimized the structures of copper phth
Autor:
Randhir Singh, Jaipratap Singh Grewal, Prabhjot Kaur, G. S. S. Saini, Ritika Sachdeva, Vasant Sathe
Publikováno v:
Computational and Theoretical Chemistry. 1130:46-57
Optimized structure of coumarin 500 has been obtained in gas phase and in solvents like methanol, ethanol, dimethyl sulfoxide and CCl4 using density functional theory calculations with B3LYP/6–311 + G(d, p) functionals. The calculated frequencies o
Publikováno v:
Integrated Ferroelectrics. 185:109-126
Effect of aqueous medium on the optimised parameters, vibrations, electronic transitions and bond orbitals of carbamazepine molecule has been reported using Density Functional Theory calculations. ...
Publikováno v:
Journal of Molecular Structure. 1144:347-354
We report here the vibrational and structural analysis of alpha-tocopherol. The vibrational analysis has been accomplished experimentally by infrared and Raman spectroscopic techniques and theoretically by density functional theory. Two conformers of
Publikováno v:
AIP Conference Proceedings.
Adsorption of small gas molecules (such as CO and O2) on pristine graphene (PG) and Li-adsorbed graphene (PG-Li) have been investigated using first principles methods within density functional theory (DFT). We also notice that PG-Li has a higher chem
Publikováno v:
AIP Conference Proceedings.
Etoricoxib is one of the selective cyclooxygenase inhibitor drug which plays a significant role in the pharmacological management of arthritis and pain. The theoretical investigation of its reactivity is done using Density Functional Theory calculati