Zobrazeno 1 - 10
of 57
pro vyhledávání: '"Gopinadhanpillai Gopakumar"'
Publikováno v:
Results in Chemistry, Vol 7, Iss , Pp 101308- (2024)
Quantum chemical calculations were applied to investigate the electronic structures and complexation behaviour of methyl-substituted phosphonic acids with uranyl (VI) nitrate. The Natural Bond Orbital (NBO) analysis indicated that the methyl groups i
Externí odkaz:
https://doaj.org/article/1dd89562cdfe4273abd341a1124c4715
Publikováno v:
Results in Chemistry, Vol 7, Iss , Pp 101498- (2024)
The complexation behavior of phosphate, phosphine oxide, and phosphoramide ligands with Th(IV) is investigated at the Density Functional Theory (DFT) level. Employing Energy Decomposition Analysis (EDA), the study reveals significant contributions of
Externí odkaz:
https://doaj.org/article/317259f6139f4b60a16626f3a47379ca
Autor:
Venkata Sravani Vaddanam, Amesh Pamarthi, Somnath Sengupta, Madhusmita Sahoo, Santosh Kumar Gupta, Sreenivasulu Balija, Gopinadhanpillai Gopakumar, Cherukuri Venkata Siva Brahmananda Rao, Ammath Suresh, Shambhu Nath Jha, Sivaraman Nagarajan
Publikováno v:
ACS Applied Nano Materials. 6:8222-8237
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::731379e36c461ed6094628b55b789222
https://doi.org/10.1021/acsanm.3c00477
https://doi.org/10.1021/acsanm.3c00477
Autor:
Puchakayala Rajani, Aditya Ramesh Sachin, Sivaraman Nagarajan, Cherukuri Venkata Siva Brahmananda Rao, Gopinadhanpillai Gopakumar
Publikováno v:
Inorganic Chemistry. 61:13047-13057
The electronic structure and complexation behavior of methyl-substituted phosphinic acids with U(VI) and Pu(IV) were explored by applying quantum chemical methods. In contrast to Ingold's classification, our results indicate that the methyl group is
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2edab91363ef83454df8e0bcf0074f34
https://doi.org/10.1021/acs.inorgchem.2c01287
https://doi.org/10.1021/acs.inorgchem.2c01287
Autor:
V. Venkata Sravani, Somnath Sengupta, B. Sreenivasulu, Gopinadhanpillai Gopakumar, Sarita Tripathi, Manish Chandra, C. V. S. Brahmmananda Rao, A. Suresh, Sivaraman Nagarajan
Publikováno v:
Dalton Transactions. 51:3557-3571
Four MOF-LIC-1 MOFs following the PSM strategy were prepared, characterized, and examined for the sorption of U(vi) and Th(iv). Also the nature of U(vi) interactions on MOFs was also investigated by applying DFT calculations.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8086f352b668eff556c47281ef73c5e9
https://doi.org/10.1039/d1dt03317d
https://doi.org/10.1039/d1dt03317d
Publikováno v:
ACS Photonics. 9:203-210
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c947e8bbde54866456f134541d04f6d3
https://doi.org/10.1021/acsphotonics.1c01397
https://doi.org/10.1021/acsphotonics.1c01397
Autor:
Dhirendra Kumar Mishra, Gopinadhanpillai Gopakumar, Tamal Banerjee, Gopal Pugazhenthi, Cherukuri Venkata Siva Brahmmananda Rao, Sivaraman Nagarajan
Publikováno v:
The Journal of Physical Chemistry A. 125:9680-9690
Deep eutectic solvents (DESs) based on metal halide salts are highly catalytic, low toxic, reusable, cost-effective, and have higher thermal stability than their analogue ionic liquids (ILs). In this work, we have reported the formation mechanism of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a00346d9adfed014cc3f575d6555af99
https://doi.org/10.1021/acs.jpca.1c07809
https://doi.org/10.1021/acs.jpca.1c07809
Autor:
Youngson Choe, Kanagaraj Shanmugasundaram, C. V. S. Brahmmananda Rao, Jino C. John, Gopinadhanpillai Gopakumar
Publikováno v:
The Journal of Physical Chemistry C. 125:17993-18001
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::822ae6128059f3e79bc5132d9c4dbdc5
https://doi.org/10.1021/acs.jpcc.1c04762
https://doi.org/10.1021/acs.jpcc.1c04762
Autor:
B. Sreenivasulu, Gopinadhanpillai Gopakumar, C. V. S. Brahmananda Rao, A. Suresh, N. Sivaraman, G. Jegan
Publikováno v:
Solvent Extraction and Ion Exchange. 40:312-332
Two phosphoramide extractants, namely, hexapropyl phosphoramide (HPPA) and hexabutyl phosphoramide (HBPA), were developed in our laboratory for their application toward actinide separations. Prelim...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0cf8f3de92040b6827356016b256471d
https://doi.org/10.1080/07366299.2021.1925000
https://doi.org/10.1080/07366299.2021.1925000
Autor:
Gopinadhanpillai Gopakumar, Kanagaraj Shanmugasundaram, C. V. S. Brahmmananda Rao, Jino C. John, Youngson Choe
Publikováno v:
New Journal of Chemistry. 45:12576-12584
Two novel furil-based small molecules FlBzPy and FlThPy were designed and synthesized with simple synthetic procedures for the first time for the LEC application. The optical, thermal, electronic, electroluminescent, and electrochemical properties we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::33269f1e6a1dcc141e6f45ac986af73d
https://doi.org/10.1039/d1nj00155h
https://doi.org/10.1039/d1nj00155h