Zobrazeno 1 - 10
of 26
pro vyhledávání: '"D. Jagadeeswara rao"'
Autor:
V. Seetaramaiah, D. Jagadeeswara Rao, Y. S. Ramakrishna, D. Rajaniverma, P. V. Prasanna Kumar
Publikováno v:
Polycyclic Aromatic Compounds. 42:5796-5808
The work aimed to explore the structure-property relations of 6-methoxy-2-naphthaldehyde (MN) and its second harmonic generation efficiency through spectroscopic characterization and quantum chemical computations. The structural characterization of t
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Publikováno v:
Molecular Crystals and Liquid Crystals. 715:69-80
Organic single crystals of 2-Amino-5-bromopyridinium 4-hydroxybenzoate were grown by slow evaporation technique at room temperature. Single crystal XRD confirms that the crystal belongs to orthorho...
Autor:
Ali Alsalme, Siriki Srinivasa Rao, Nabil Al-Zaqri, A. Sankar, D. Jagadeeswara Rao, Renjith Thomas, T. Pooventhiran
Publikováno v:
Polycyclic Aromatic Compounds. 42:3238-3252
Dermal fibrosis and Parkinson's disease are two chronic syndromes affecting a large population leading to systematic morbidity. The mechanisms of these diseases are well debated, and many medicines...
Autor:
Y. Sheena Mary, Ahmad Irfan, Vivek Chandramohan, D. Jagadeeswara Rao, Prashantha Karunakar, Renjth Thomas, T. Pooventhiran, Utsab Bhattacharyya
Publikováno v:
Structural Chemistry. 31:2475-2485
Cenobamate, which is a voltage-gated sodium channel (VGSC) blocker, finds its full application in several anti-epileptic medications. This manuscript tries to look at the structure and other physicochemical properties of this compound with electronic
Publikováno v:
THE 8TH ANNUAL INTERNATIONAL SEMINAR ON TRENDS IN SCIENCE AND SCIENCE EDUCATION (AISTSSE) 2021.
Autor:
Tomlal Jose E, Jinesh M Kuthanapillil, Utsab Bhattacharyya, D. Jagadeeswara Rao, T. Pooventhiran, Elham S. Aazam, Ephraim Felix Marondedze, Renjith Thomas, Penny Poomani Govender
Publikováno v:
Journal of Molecular Modeling
Rimegepant is a new medicine developed for the management of chronic headache due to migraine. This manuscript is an attempt to study the various structural, physical, and chemical properties of the molecules. The molecule was optimized using B3LYP f
Publikováno v:
Polycyclic Aromatic Compounds. 41:2003-2017
The quantum chemical calculation of 9-methylanthracene and 2,3-dimethylanthracene molecules were carried out (9MA and 23DMA). The Density Functional Theory (DFT) by the method RB3LYP with the basis...
Publikováno v:
Journal of Molecular Structure. 1186:482-489
Acetyl-benzoic acid transformed into its phthalide form (so called Ph-2ABA) when it is crystalized. Also, in the crystalline structure is concerned, it contains four molecules in a unit cell including a dimer. The present study focuses the monomer an
Autor:
D. Jagadeeswara rao, D. Rama Sekhara Reddy, V. Seeta Ramaiah, Ch. Venkat Rao, Y. Ramakrishna, K. Eswar Srikanth
Publikováno v:
Materials Today: Proceedings. 5:26430-26439
The vibrational and electronic properties of 1-(3-methylthiophen-2-yl)ethanone have been studied in the ground state using density functional theory (DFT) employing B3LYP exchange correlation with the 6-31G(d, p) basis set. The theoretically calculat