Zobrazeno 1 - 10
of 20
pro vyhledávání: '"S. Marutheeswaran"'
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
The Journal of Physical Chemistry C. 124:8786-8794
Understanding the mechanism of NO2 interaction on semiconductor surfaces such as TiO2 is a key step in designing the catalytic processes for conversion of NO2 to useful products. In the present wor...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ea858566c22ed81e782510ddebaf23c0
https://doi.org/10.1021/acs.jpcc.0c00525
https://doi.org/10.1021/acs.jpcc.0c00525
Publikováno v:
The Journal of Physical Chemistry C. 122:7945-7950
We study the stability and mechanical properties of adamantane-derived nanothreads (ANTs) and compare them with benzene-derived nanothreads (BNTs) using the density functional theory. The zigzag-catafused ANT has better thermodynamic stability, failu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::503f81c1eda6e9286d4324705a110a38
https://doi.org/10.1021/acs.jpcc.7b12603
https://doi.org/10.1021/acs.jpcc.7b12603
Publikováno v:
Surface Science. 713:121902
Adsorption and functional transformation of 2,4,6-trinitrotoluene (TNT) are highly desirable to create a safer environment. Using first principles electronic structure calculations and MD simulations, we have examined the adsorption and catalytic con
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9b1e76afad76f46233fd6a6a17ef18a0
https://doi.org/10.1016/j.susc.2021.121902
https://doi.org/10.1016/j.susc.2021.121902
Autor:
Ramana Sreenivasa Rao, Chinnasamy Ramaraj Ramanathan, S. Marutheeswaran, Vijayan Srinivasapriyan, Jayaraman Selvakumar
Publikováno v:
European Journal of Organic Chemistry. 2015:2175-2188
Isoquinoline-based polycyclic lactams such as isoindoloisoquinolinones, pyrroloisoquinolinones, and benzo[a]quinolizinones were successfully assembled from the corresponding imides by using a TfOH-mediated (TfOH = trifluoromethanesulfonic acid) imide
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8b570b0460e4c1b621e3fb46686e21f7
https://doi.org/10.1002/ejoc.201403617
https://doi.org/10.1002/ejoc.201403617
Publikováno v:
Superlattices and Microstructures. 76:213-220
Metal nitride nanosheets has attracted remarkable importance in surface catalysis due to its characteristic ionic nature. In this paper, using density functional theory, we investigate geometric stability and electronic properties of hydrogenated Ico
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c668192e6280070b1f551b7a1edc93d2
https://doi.org/10.1016/j.spmi.2014.09.034
https://doi.org/10.1016/j.spmi.2014.09.034
Publikováno v:
Phys. Chem. Chem. Phys.. 16:19861-19865
Quantum chemical analysis shows aza-graphane isomers, with alternate C-H and N: sites as ideal organocatalysts; their kinetic stability arises from the tertiary orthoamide. DFT calculations give split-off bands originating from nitrogen lone-pairs wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b5a763fcc4d62ce2f51df90c5344a56
https://doi.org/10.1039/c4cp03429e
https://doi.org/10.1039/c4cp03429e
Publikováno v:
Phys. Chem. Chem. Phys.. 16:11186-11190
Free standing silicene nanosheets remain elusive presumably due to the instability associated with sp(2) hybridized silicon atoms. Here we show that silicon prefers nanosheets based on the non-classical Si5 unit with a [1.1.1]-propellane motif that h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d34618ac859d392d1ee6723f8618b69
https://doi.org/10.1039/c4cp01286k
https://doi.org/10.1039/c4cp01286k
Publikováno v:
Polyhedron. 63:55-59
A systematic quantum chemical inquiry on supraicosahedral boranes (B n H n 2− , n > 12) reveals that larger polyhedral boranes no longer prefer pure deltahedral structures. In an attempt to avoid vertices that has six polyhedral neighbors ( hex-cap
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d8efabae8f2fa82c5e9ffb723c7463e2
https://doi.org/10.1016/j.poly.2013.07.017
https://doi.org/10.1016/j.poly.2013.07.017
Autor:
Jayaraman Selvakumar, Chinnasamy Ramaraj Ramanathan, S. Marutheeswaran, Vijayan Srinivasapriyan, Ramana Sreenivasa Rao
Publikováno v:
ChemInform. 46
Racemic erythrinarbine (IVb) and further tricyclic lactams (II) and (IV) are readily prepared via a TfOH-mediated cyclization reaction.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8fbec377c514f9ddc73d0d9bd3f6dc98
https://doi.org/10.1002/chin.201531204
https://doi.org/10.1002/chin.201531204