Výsledky vyhledávání - "G. Ramana Rao"

Akademický článek

New empirical relation for chemical shift and effective charge in the X-ray absorption edge shifts

Autor: Roy, Bunty Rani, A.S., Nageswara Rao, G., Ramana Rao

Publikováno v: In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 5 October 2018 203:166-176

Synthesis and evaluation of molecular structure from torsional scans, study of molecular characteristics using spectroscopic and DFT methods of some thiosemicarbazones, and investigation of their anticancer activity

Autor: K. Srishailam, K. Laxma Reddy, K. Ramaiah, B. Venkatram Reddy, G. Ramana Rao

Publikováno v: Chemical Papers. 75:3635-3647

Synthesis of 2-((2-aminopyridin-3-yl) methylene) hydrazinecarbothioamide (APHT) was attempted. Elemental analysis and NMR spectra were used to ascertain its formation. Torsional potential energy scans for all five of its rotating bonds were made to g

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b2f322fb05bdf97b16ee8284c697756d
https://doi.org/10.1007/s11696-021-01595-x

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NMR & Electronic Spectra, NLO, FMO, NBO and Thermodynamic Properties of Pentachlorophenol: An Experimental and Theoretical Investigation

Autor: B. Venkatram Reddy, G. Ramesh, P. Venkata Ramana Rao, K. Srishailam, G. Ramana Rao

Publikováno v: Asian Journal of Chemistry. 32:3057-3062

Proton (1H) and Carbon-13 (13C) nuclear magnetic resonance spectra of pentachlorophenol were measured. Corresponding chemical shifts were generated using Gauge Independent Atomic Orbital (GIAO) approach, as a part of density functional theory (DFT) a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2fd620b9b29d92ae1a49d5ff96988cf8
https://doi.org/10.14233/ajchem.2020.22945

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Investigation of torsional potentials, hindered rotation, molecular structure and vibrational properties of some biphenyl carboxaldehydes using spectroscopic techniques and density functional formalism

Autor: G. Ramana Rao, B. Venkatram Reddy, K. Srishailam

Publikováno v: Journal of Molecular Structure. 1196:139-161

Fourier Transform infrared spectra and Fourier Transform Raman spectra, of biphenyl-4-carboxaldehyde (B4A), biphenyl-3-carboxaldehyde (B3A), and biphenyl-2-carboxaldehyde (B2A), were recorded in the spectral range 4000-450 cm−1 and 4000-50 cm−1,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3b1cc16de512ce4a310892c7b8e1f9c2
https://doi.org/10.1016/j.molstruc.2019.06.064

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Synthesis, crystal and molecular structure, and characterization of 2-((2-aminopyridin-3-yl)methylene)-N-ethylhydrazinecarbothioamide using spectroscopic (1H and 13C NMR, FT-IR, FT-Raman, UV–Vis) and DFT methods and evaluation of its anticancer activity

Autor: K. Srishailam, K. Ramaiah, B. Venkatram Reddy, G. Ramana Rao, K. Laxma Reddy

Publikováno v: Journal of Molecular Structure. 1184:405-417

2-((2-aminopyridin-3-yl)methylene)-N-ethylhydrazinecarbothioamide was synthesized. It was characterized by making elemental analysis, assisted by experimental 1H NMR, 13C NMR, FT- Raman (4000-50 cm−1), FT-IR (4000-400 cm−1), and UV–Vis (200–4

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a0fcea45b607ab58668ec5cdd2a84592
https://doi.org/10.1016/j.molstruc.2019.02.060

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Structural and vibrational properties of pentabromophenol and pentafluorophenol: A spectroscopic investigation using density functional theory

Autor: L. Ravindranath, B. Venkatram Reddy, P. Venkata Ramana Rao, K. Srishailam, G. Ramana Rao

Publikováno v: Journal of Molecular Structure. 1180:665-675

Fourier Transform Raman and Fourier Transform infrared spectra were measured in the spectral range 3500-100 cm−1 and 4000-400 cm−1, respectively, for Pentabromophenol (PBP) and Pentafluorophenol (PFP). Torsional potentials, optimized structure pa

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b56bcf62c014f92988fda621f8e8f4d7
https://doi.org/10.1016/j.molstruc.2018.12.036

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Experimental and theoretical determination of structural and vibrational properties of pentachlorophenol and pentachlorothiophenol

Autor: L. Ravindranath, P. Venkata Ramana Rao, K. Srishailam, G. Ramana Rao, B. Venkatram Reddy

Publikováno v: Journal of Molecular Structure. 1178:142-154

Fourier Transform Raman (3500-100 cm−1) and Fourier Transform Infrared (4000-400 cm−1) spectra were measured for Pentachlorophenol (PCP). Barrier to internal rotation, optimized geometry parameters, harmonic vibrational frequencies, along with Ra

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::cc1b457f8beb794504f813ff8924d10e
https://doi.org/10.1016/j.molstruc.2018.10.022

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