Zobrazeno 1 - 10
of 64
pro vyhledávání: '"K. R. S. Chandrakumar"'
Publikováno v:
The Journal of Physical Chemistry C. 126:10762-10771
Publikováno v:
The Journal of Physical Chemistry C. 125:20405-20415
Autor:
Chandan Gupta, Tanveer Habib Tadavi, Sangita Bose, Neeraj Agarwal, K. R. S. Chandrakumar, Swati Dixit
Publikováno v:
New Journal of Chemistry. 45:16238-16247
Phenanthroimidazole derivatives showing bipolar characters, strong emissions in the blue region and their applications in OLED is presented.
Publikováno v:
Materials Today: Proceedings. 47:6343-6349
The emergence of hydrogen energy as a viable alternate source of green energy strongly adheres on designing materials for its practical storage and production. In this connection, the dissociation of water leading to the generation of hydrogen molecu
Publikováno v:
International Journal of Hydrogen Energy. 44:23196-23209
Presence of curvature is considered as a tuning parameter to activate the hydrogen storage capability of carbon nanostructures. Here, we explicate the role of ‘intra-curvature’ in a set of single-walled carbon nanohorns (SWCNHs), to adsorb light
Autor:
Neeraj Agarwal, Mohammad Muneer, K. R. S. Chandrakumar, Prabhjyot Bhui, Sangita Bose, Ankur A. Awasthi, Qamar T. Siddiqui
Publikováno v:
The Journal of Physical Chemistry C. 123:1003-1014
Donor–acceptor–donor materials (1,2) having acridone as acceptor unit and carbazole as donor were synthesized for optoelectronic applications. Carbazole was substituted on 2,7 positions of acridone in 1, while 3,6-trifluoromethylphenyl carbazole
Autor:
Amrita Das, K. R. S. Chandrakumar, Bhaskar Paul, Jagannath Gupta, Nidhi Gupta, Ajoy K. Singh, Vivekanand Kain
Publikováno v:
Chemical Engineering Journal. 431:134221
Publikováno v:
The journal of physical chemistry. A. 124(19)
We investigate a few density functional theory-based reactivity indices of chemistry, with a view to arrive at an intercomparison and also consider their applications toward the problems of chemical significance. In particular, we propose to use the
Autor:
Sangita Bose, Neeraj Agarwal, Mohammad Muneer, K. R. S. Chandrakumar, Prabhjyot Bhui, Qamar T. Siddiqui
Publikováno v:
The Journal of Physical Chemistry C. 122:25804-25812
Imidazoanthraquinone-based high dipolar molecules (AQ01 and AQ02) were synthesized and characterized. Photophysical properties in various solvents suggested the polar nature of the ground state for these materials. In addition, fluorescence quenching
Publikováno v:
Journal of Chemical Sciences. 132
An ab initio investigation on water clusters confined to armchair carbon nanotubes (CNT) with varying diameters has been performed using the density functional theory-based calculations. Different parameters have been investigated including structure