Zobrazeno 1 - 10
of 62
pro vyhledávání: '"B. Venkatram Reddy"'
Publikováno v:
Asian Journal of Chemistry. 35:1283-1290
Molecular structure, molecular orbital energies; and global reactivity parameters of 2-amino-4-nitrotoluene (2A4NT) and 2-amino-5-nitrotoluene (2A5NT) were studied using DFT/B3LYP/6-311++G(d,p) level of theory. The energy difference between HOMO and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c2d728244317016266ba778e7866db98
https://doi.org/10.14233/ajchem.2023.27740
https://doi.org/10.14233/ajchem.2023.27740
Publikováno v:
Polycyclic Aromatic Compounds. :1-14
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::516fef603d444c2d80077a56857df352
https://doi.org/10.1080/10406638.2022.2130376
https://doi.org/10.1080/10406638.2022.2130376
Autor:
G. Ramesh, B. Venkatram Reddy
Publikováno v:
Polycyclic Aromatic Compounds. :1-15
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::02c208239ba06d37077da8f983a0f0a4
https://doi.org/10.1080/10406638.2022.2086889
https://doi.org/10.1080/10406638.2022.2086889
Publikováno v:
Molecular Simulation. 48:1315-1329
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::05370bfb292b8ae91e45ac9e520fee0a
https://doi.org/10.1080/08927022.2022.2086277
https://doi.org/10.1080/08927022.2022.2086277
Publikováno v:
Materials Today: Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::39b5c83a6975874a4545b85ec0ac6bef
https://doi.org/10.1016/j.matpr.2023.05.003
https://doi.org/10.1016/j.matpr.2023.05.003
Autor:
G. Ramesh, B. Venkatram Reddy
Publikováno v:
Polycyclic Aromatic Compounds. 43:2488-2505
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::21c778a25e271ba0fd69fe6e415b0805
https://doi.org/10.1080/10406638.2022.2046614
https://doi.org/10.1080/10406638.2022.2046614
Publikováno v:
Brazilian Journal of Physics. 53
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::96280eecf7189329971bff30bd4b2b5b
https://doi.org/10.1007/s13538-023-01255-3
https://doi.org/10.1007/s13538-023-01255-3
Publikováno v:
Journal of Molecular Structure. 1286:135572
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::acdc7a02532f9aaf5a71b481c9fcb5f7
https://doi.org/10.1016/j.molstruc.2023.135572
https://doi.org/10.1016/j.molstruc.2023.135572
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
https://doi.org/10.1007/s11696-021-01595-x
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
https://doi.org/10.14233/ajchem.2020.22945