Arun K. Manna - Publications

Affiliations: 
2017- IIT Tirupati  
Area:
Theoretical and computational chemistry
Website:
https://mannaarun17.wixsite.com/manna

31 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Ahmed R, Manna AK. Theoretical insights on tunable optoelectronics and charge mobilities in cyano-perylenediimides: interplays between -CN numbers and positions. Physical Chemistry Chemical Physics : Pccp. PMID 34190243 DOI: 10.1039/d1cp01473k  1
2020 Ahmed R, Manna AK. Molecular-scale engineering of the charge-transfer excited states in non-covalently bound Zn-porphyrin and carbon fullerene based donor-acceptor complex. Physical Chemistry Chemical Physics : Pccp. PMID 32578616 DOI: 10.1039/D0Cp01936D  1
2018 Manna AK, Refaely-Abramson S, Reilly AM, Tkatchenko A, Neaton JB, Kronik L. Quantitative prediction of optical absorption in molecular solids from an optimally-tuned screened range-separated hybrid functional. Journal of Chemical Theory and Computation. PMID 29727172 DOI: 10.1021/Acs.Jctc.7B01058  0.48
2016 Maiti B, Manna AK, McCleese C, Doane TL, Chakrapani S, Burda C, Dunietz BD. Photoinduced Homolytic Bond Cleavage of the Central Si-C Bond in Porphyrin Macrocycles Is a Charge Polarization Driven Process. The Journal of Physical Chemistry. A. PMID 27654631 DOI: 10.1021/Acs.Jpca.6B05610  1
2015 Manna AK, Lee MH, McMahon KL, Dunietz BD. Calculating High Energy Charge Transfer States Using Optimally Tuned Range-Separated Hybrid Functionals. Journal of Chemical Theory and Computation. 11: 1110-1117. PMID 26579761 DOI: 10.1021/Ct501018N  1
2015 Manna AK, Balamurugan D, Cheung MS, Dunietz BD. Unraveling the Mechanism of Photoinduced Charge Transfer in Carotenoid-Porphyrin-C60 Molecular Triad. The Journal of Physical Chemistry Letters. 6: 1231-7. PMID 26262978 DOI: 10.1021/Acs.Jpclett.5B00074  1
2015 Manna AK, Balamurugan D, Cheung MS, Dunietz BD. Unraveling the mechanism of photoinduced charge transfer in carotenoid-porphyrin-C60 molecular triad Journal of Physical Chemistry Letters. 6: 1231-1237. DOI: 10.1021/acs.jpclett.5b00074  1
2014 Zheng Z, Manna AK, Hendrickson HP, Hammer M, Song C, Geva E, Dunietz BD. Molecular structure, spectroscopy, and photoinduced kinetics in trinuclear cyanide bridged complex in solution: a first-principles perspective. Journal of the American Chemical Society. 136: 16954-7. PMID 25424459 DOI: 10.1021/Ja507131Q  1
2014 Manna AK, Dunietz BD. Communication: Charge-transfer rate constants in zinc-porphyrin-porphyrin-derived dyads: a Fermi golden rule first-principles-based study. The Journal of Chemical Physics. 141: 121102. PMID 25273402 DOI: 10.1063/1.4896826  1
2014 Sanyal S, Manna AK, Pati SK. Functional corannulene: diverse structures, enhanced charge transport, and tunable optoelectronic properties. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 885-93. PMID 24590669 DOI: 10.1002/Cphc.201301050  1
2014 Sanyal S, Manna AK, Pati SK. BN-decorated graphene nanoflakes with tunable opto-electronic and charge transport properties Journal of Materials Chemistry C. 2: 2918-2928. DOI: 10.1039/C3Tc32486A  1
2013 Manna AK, Pati SK. Theoretical understanding of single-stranded DNA assisted dispersion of graphene. Journal of Materials Chemistry. B. 1: 91-100. PMID 32260616 DOI: 10.1039/C2Tb00184E  1
2013 Manna AK, Pati SK. Computational studies on non-covalent interactions of carbon and boron fullerenes with graphene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 1844-52. PMID 23616400 DOI: 10.1002/Cphc.201300155  1
2013 Chakraborty A, Srinivasa Rao L, Manna AK, Pati SK, Ribas J, Maji TK. Discrete dinuclear complex to extended 2D compound in a Cu-azido system by controlling coligand stoichiometry: synthesis and magneto-structural correlations. Dalton Transactions (Cambridge, England : 2003). 42: 10707-14. PMID 23503610 DOI: 10.1039/C3Dt32526A  1
2013 Manna AK, Pati SK. Effect of edge states on the electronic, magnetic and transport properties of BN-fused polyacene zigzag nanoribbons Journal of Materials Chemistry C. 1: 3439-3447. DOI: 10.1039/C3Tc30219A  1
2013 Manna AK, Pati SK. Theoretical understanding of single-stranded DNA assisted dispersion of graphene Journal of Materials Chemistry B. 1: 91-100. DOI: 10.1039/c2tb00184e  1
2013 Manna AK, Pati SK. Stability and electronic structure of carbon capsules with superior gas storage properties: A theoretical study Chemical Physics. 426: 23-30. DOI: 10.1016/J.Chemphys.2013.09.004  1
2013 Manna AK, Pati SK. Computational studies on non-covalent interactions of carbon and boron fullerenes with graphene Chemphyschem. 14: 1844-1852. DOI: 10.1002/cphc.201300155  1
2012 Samanta PK, Manna AK, Pati SK. Structural, electronic, and optical properties of metallo base pairs in duplex DNA: a theoretical insight. Chemistry, An Asian Journal. 7: 2718-28. PMID 22962000 DOI: 10.1002/Asia.201200630  1
2012 Samanta PK, Manna AK, Pati SK. Thieno analogues of RNA nucleosides: a detailed theoretical study. The Journal of Physical Chemistry. B. 116: 7618-26. PMID 22671305 DOI: 10.1021/Jp301752K  1
2012 Manna AK, Pati SK. Designing tunable electronic and magnetic properties of graphene: A theoretical perspective International Journal of Modern Physics B. 26. DOI: 10.1142/S0217979212420039  1
2011 Maity D, Manna AK, Karthigeyan D, Kundu TK, Pati SK, Govindaraju T. Visible-near-infrared and fluorescent copper sensors based on julolidine conjugates: selective detection and fluorescence imaging in living cells. Chemistry (Weinheim An Der Bergstrasse, Germany). 17: 11152-61. PMID 21882277 DOI: 10.1002/Chem.201101906  1
2011 Das B, Choudhury B, Gomathi A, Manna AK, Pati SK, Rao CN. Interaction of inorganic nanoparticles with graphene. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 12: 937-43. PMID 21384487 DOI: 10.1002/Cphc.201001090  1
2011 Manna AK, Pati SK. Doping of graphene: A computational study Graphene and Its Fascinating Attributes. 59-75. DOI: 10.1142/9789814329361_0004  1
2011 Manna AK, Pati SK. Tunable electronic and magnetic properties in B xN yC z nanohybrids: Effect of domain segregation Journal of Physical Chemistry C. 115: 10842-10850. DOI: 10.1021/Jp202195B  1
2010 Manna AK, Pati SK. Doping single-walled carbon nanotubes through molecular charge-transfer: A theoretical study Nanoscale. 2: 1190-1195. PMID 20648348 DOI: 10.1039/C0Nr00124D  1
2010 Matte HS, Gomathi A, Manna AK, Late DJ, Datta R, Pati SK, Rao CN. MoS2 and WS2 analogues of graphene. Angewandte Chemie (International Ed. in English). 49: 4059-62. PMID 20425874 DOI: 10.1002/Anie.201000009  1
2009 Dutta S, Manna AK, Pati SK. Intrinsic half-metallicity in modified graphene nanoribbons. Physical Review Letters. 102: 096601. PMID 19392544 DOI: 10.1103/Physrevlett.102.096601  1
2009 Manna AK, Pati SK. Tuning the electronic structure of graphene by molecular charge transfer: a computational study. Chemistry, An Asian Journal. 4: 855-60. PMID 19322803 DOI: 10.1002/Asia.200800486  1
2009 Manna AK, Pati SK. Tuning the electronic structure of graphene by molecular charge transfer: A computational study Chemistry - An Asian Journal. 4: 855-860. DOI: 10.1002/asia.200800486  1
2008 Pal S, Manna AK, Pati SK. The role of H bonding and dipole-dipole interactions on the electrical polarizations and charge mobilities in linear arrays of urea, thiourea, and their derivatives. The Journal of Chemical Physics. 129: 204301. PMID 19045858 DOI: 10.1063/1.3020335  1
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