- Arun K Manna and Swapan K Pati,
Stability and Electronic Structure of Carbon Capsules with Superior Gas Storage Properties: A Theoretical Study,
Chem. Phys.
426, 23 - 30 (2013).
- Arkamita Bandyopadhyay and Swapan K. Pati,
Organic Molecules Adsorption on Single Layer MoS2: A Theoretical Study,
Soc. Mat. Chem. Bulletin
4, 1 - 4 (2013).
- SRKC Sharma Yamijala, Arkamita Bandyopadhyay and Swapan K. Pati,
Structural Stability, Electronic, Magnetic and Optical Properties of Rectangular Graphene and Boron-Nitride Quantum Dots: Effects of Size, Substitution and Electric Field,
J. Phys. Chem. C
117, 23295 - 23304 (2013).
- Dibyajyoti Ghosh, Ganga Periyasamy, and Swapan K Pati,
Adsorption of HF Pollutant on Single Vacant 2D Nanosheets: Ab Initio Molecular Dynamics Study,
J. Phys. Chem. C
117, 21700 - 21705 (2013).
- Pralok K Samanta and Swapan K Pati,
Structural, Electronic and Photophysical Properties of Analogous RNA Nucleosides: A Theoretical Study,
New Journal of Chemistry
37, 3640 - 3646 (2013).
- M. B. Avinash, P. K. Samanta, K. V. Sandeepa, S. K. Pati, and T. Govindaraju,
Molecular architectonics of stereochemically constrained pi–complementary functional modules,
Eur. J. Org. Chem
2013, 5838 - 5847 (2013).
- S. Mohakud, Ayan Datta and S. K. Pati,
Theoretical Framework for Charge Carrier Mobility in Organic Molecular Solids (Book Chapter, Book Title : "Concepts and Methods in Modern Theoretical Chemistry:Statistical Mechanics" edited by Swapan Kumar Ghosh and Patim Kumar Chattaraj),
CRC Press Taylor & Francis Group, ISBN: 978-1-4665-0620-6
163 - 181 (2013).
- A. Chakraborty, L. S. Rao, A. K. Manna, S. K. Pati, J. Ribas and T. K. Maji,
Discrete dinuclear complex to extended 2D compound in Cu-azido system by controlling coligand stoichiometry: Synthesis and magneto-structural correlations,
Dalton Transactions
(2013).
In Press.
- Arkamita Bandyopadhyay, Sharma SRKC Yamijala and Swapan K Pati,
Tuning the Electronic and Optical properties of Graphene and Boron-Nitride Quantum Dots through Molecular Charge-transfer Interactions,
Phys. Chem. Chem. Phys.
15, 13881 - 13887 (2013).
- Arun K. Manna and Swapan K Pati,
"Effect of Edge States on the Electronic, Magnetic and Transport Properties of BN-Fused Polyacene Zigzag Nanoribbons",
J. Mater. Chem. C
1, 3439 - 3447 (2013).
- Arun K. Manna and Swapan K Pati,
"Computational Studies on Non-covalent Interactions of Carbon and Boron Fullerenes with Graphene",
ChemPhysChem
14, 1844 - 1852 (2013).
- Pallavi Bothra, Ganga Periyasamy, Swapan K. Pati,
Methane formation from the hydrogenation of Carbon dioxide on Ni (110) surface - A Density Functional Theoretical Study,
Phys. Chem. Chem. Phys.
15, 5701 - 5706 (2013).
- Swastika Banerjee, Ganga Periyasamy and Swapan K. Pati,
Structural, optical and hydrogen adsorption properties of B9/metal-B9 clusters: A Density Functional Theoretical Study,
Phys. Chem. Chem. Phys.
15 , 8303 - 8310 (2013).
- SRKC Sharma Yamijala and Swapan K Pati,
Electronic and Magnetic Properties of Zigzag Boron-Nitride Nanoribbons with Even and Odd-line Stone-Wales (5-7 pair) Defects,
J. Phys. Chem. C
117 , 3580 - 3594 (2013).
- Somananda Sanyal, Arun K. Manna, Swapan K. Pati,
Effect of Imide Functionalization on the Electronic, Optical and Charge Transport Properties of Coronene: A Theoretical Study
,
J. Phys. Chem. C
117, 825 - 836 (2013).
- Arun K. Manna and Swapan K. Pati,
Theoretical understanding of single-stranded DNA assisted dispersion of graphene,
J. Mater. Chem. B
1, 091 - 100 (2013).
- Sasmita Mohakud and Swapan K. Pati,
Inter- and Intrachain Charge Transport in Conjugated Organic Polymers: Case Studies for F8BT and F8TT Polymers,
(2013).
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