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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5bd62a8ad3002b1c55cb774bb2c7fa34
https://doi.org/10.1080/10406638.2021.1956553
https://doi.org/10.1080/10406638.2021.1956553
Akademický článek
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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...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8bf32ce3f436cf2aef17f5bec67afc6d
https://doi.org/10.1080/15421406.2020.1856617
https://doi.org/10.1080/15421406.2020.1856617
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...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7dd025cc6860dec5974424c314e62bce
https://doi.org/10.1080/10406638.2020.1857273
https://doi.org/10.1080/10406638.2020.1857273
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::03cdd1d19a820902bd175840c7b6edae
https://doi.org/10.1007/s11224-020-01607-8
https://doi.org/10.1007/s11224-020-01607-8
Publikováno v:
THE 8TH ANNUAL INTERNATIONAL SEMINAR ON TRENDS IN SCIENCE AND SCIENCE EDUCATION (AISTSSE) 2021.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba6f1d8908966d5219f853f172b48bd4
https://doi.org/10.1063/5.0108533
https://doi.org/10.1063/5.0108533
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9b73dba1c9bf5045de2e78950cd8f92b
https://doi.org/10.1007/s00894-021-04885-z
https://doi.org/10.1007/s00894-021-04885-z
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...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3dfe63a9b0401960d0d6d2f8757cf7a
https://doi.org/10.1080/10406638.2019.1709083
https://doi.org/10.1080/10406638.2019.1709083
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0a53f8d3bcdf61d00aa51df41b25d3e5
https://doi.org/10.1016/j.molstruc.2019.03.052
https://doi.org/10.1016/j.molstruc.2019.03.052
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4ec944888977a6b5f31d56aa0b266ef4
https://doi.org/10.1016/j.matpr.2018.08.097
https://doi.org/10.1016/j.matpr.2018.08.097