화학공학소재연구정보센터
검색결과 : 40건
No. Article
1 Interaction of PEO with LiI/NaI: a density functional approach
Rao BK, Singh R, Verma ML
Polymer Bulletin, 78(3), 1441, 2021
2 First principle study of PEO-AgI polymer systems
Rao BK, Verma ML
Chemical Physics Letters, 679, 176, 2017
3 Ab initio study of ionic nature of 0.75AgI:0.25AgCl
Verma ML, Rao BK
Solid State Ionics, 310, 56, 2017
4 First principle study of 0.75AgI:0.25AgCl: A density functional approach
Rao BK, Verma ML
Chemical Physics Letters, 661, 157, 2016
5 Receptor-Ligand Interaction at 5-HT3 Serotonin Receptors: A Cluster Approach
Rao BK, Samanta D, Joshi S, Basu K, Baldwin SD, Jha A, Dukat M, Glennon RA, Jena P
Journal of Physical Chemistry A, 118(37), 8471, 2014
6 DFT study of structure and binding energies of Fe-corannulene complex
Kandalam AK, Rao BK, Jena P
Journal of Physical Chemistry A, 109(41), 9220, 2005
7 Interaction of Pd and PdCl2 with cellulose: Theoretical investigation
Chatterjee B, Reddy BV, Rao BK, Khanna SN, Jena P
Journal of Physical Chemistry B, 109(49), 23655, 2005
8 Effect of sequential oxidation on the electronic structure of tungsten clusters
Sun Q, Rao BK, Jena P, Stolcic D, Gantefor G, Kawazoe Y
Chemical Physics Letters, 387(1-3), 29, 2004
9 Geometry and electronic structure of V-n(Bz)(m) complexes
Kandalam AK, Rao BK, Jena P, Pandey R
Journal of Chemical Physics, 120(22), 10414, 2004
10 Appearance of bulk properties in small tungsten oxide clusters
Sun Q, Rao BK, Jena P, Stolcic D, Kim YD, Gantefor G, Castleman AW
Journal of Chemical Physics, 121(19), 9417, 2004