Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Numbury, Surendra Babu"'
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Autor:
Numbury Surendra Babu
Publikováno v:
Designed Monomers and Polymers, Vol 24, Iss 1, Pp 330-342 (2021)
Density functional theory (DFT) and time-dependent DFT (TD-DFT) are used to investigate the ground- and excited-state properties of donor-acceptor–donor (D-A-D) monomers based on 3,6-carbazole (CB) combined with various-conjugated benzothiazole der
Externí odkaz:
https://doaj.org/article/01c2302a80864aea8f695cd9a965cbb8
Autor:
Numbury Surendra Babu, Said A.H. Vuai
Publikováno v:
Designed Monomers and Polymers, Vol 24, Iss 1, Pp 226-239 (2021)
In this research article, the new donor–acceptor (D–A) monomers developed using 4-methoxy-9-methyl-9 H-carbazole (MMCB) as electron donors and various electron acceptors. DFT and TD-DFT methods at the level of B3LYP with a 6–311 G basis set in
Externí odkaz:
https://doaj.org/article/71e6158c43c3454786e52d422913c534
Autor:
Said A.H. Vuai, Numbury Surendra Babu
Publikováno v:
Designed Monomers and Polymers, Vol 24, Iss 1, Pp 125-137 (2021)
Endeavors have been made to construct new donor–acceptor (D-A) monomers utilizing 9 H-carbazole (CB) as electron donors and different electron acceptors. All estimations were finished using DFT and TD-DFT, and B3LYP level with a 6–311 G basis set
Externí odkaz:
https://doaj.org/article/e770e972ad3d41b584a2c780c8037185
Autor:
Prof. Numbury Surendra Babu
Publikováno v:
ChemistryOpen, Vol 11, Iss 2, Pp n/a-n/a (2022)
Abstract The new donor‐acceptor‐donor (D‐A‐D) monomers have been studied using density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) methods to evaluate the optoelectronic and electronic properties for bulk
Externí odkaz:
https://doaj.org/article/985b211a800c46059ace2909480daac6
Publikováno v:
Heliyon, Vol 7, Iss 11, Pp e08339- (2021)
A series of six coumarin based dye derivatives were investigated and their geometry and optoelectronic properties elucidated for suitability in dye-sensitized solar cells (DSSCs) using TD-DFT/B3LYP with 6-31G basis set. D-π-A schemes were developed
Externí odkaz:
https://doaj.org/article/c081d42eab5643dc8f09d57563853011
Publikováno v:
Oxford Open Materials Science; 2024, Vol. 3 Issue 1, p1-11, 11p
Publikováno v:
International Journal of Energy and Environmental Engineering. 13:769-783
Autor:
Said A. H. Vuai, Numbury Surendra Babu
Publikováno v:
Designed Monomers and Polymers
article-version (VoR) Version of Record
Designed Monomers and Polymers, Vol 24, Iss 1, Pp 226-239 (2021)
article-version (VoR) Version of Record
Designed Monomers and Polymers, Vol 24, Iss 1, Pp 226-239 (2021)
In this research article, the new donor–acceptor (D–A) monomers developed using 4-methoxy-9-methyl-9 H-carbazole (MMCB) as electron donors and various electron acceptors. DFT and TD-DFT methods at the level of B3LYP with a 6–311 G basis set in
Autor:
Numbury Surendra Babu
Publikováno v:
Density Functional Theory-Recent Advances, New Perspectives and Applications [Working Title]
DFT and time-dependant DFT (TD-DFT) quantum chemical calculations have become helpful for qualitative and quantitative analyses of materials at the molecular level. In this paper, we will attempt to outline successes and opportunities associated with
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43171d3a30b6c1c8aab7909535620eaf
https://doi.org/10.5772/intechopen.100136
https://doi.org/10.5772/intechopen.100136