Items where Author is "Umadevi, Deivasigamani"

Article

Panigrahi, Swati ; Umadevi, Deivasigamani ; Sastry, G. Narahari (2016) Anomalous lithium adsorption propensity of monolayer carbonaceous materials: a density functional study Journal of Chemical Sciences, 128 (10). pp. 1641-1649. ISSN 0974-3626

Umadevi, Deivasigamani ; Sastry, G. Narahari (2015) Graphane versus graphene: a computational investigation of the interaction of nucleobases, aminoacids, heterocycles, small molecules (CO₂, H₂O, NH₃, CH₄, H₂), metal ions and onium ions Physical Chemistry Chemical Physics, 17 (45). pp. 30260-30269. ISSN 1463-9076

Mohapatra, Debendra K. ; Umamaheshwar, Gonela ; Rao, M. Mallikarjuna ; Umadevi, Deivasigamani ; Yadav, Jhillu S. (2014) Concise total synthesis of botryolide B RSC Advances, 4 (16). p. 8335. ISSN 2046-2069

Umadevi, Deivasigamani ; Sastry, G. Narahari (2014) Feasibility of carbon nanomaterials as gas sensors: a computational study Current Science, 106 (9). pp. 1224-1234. ISSN 0011-3891

Umadevi, Deivasigamani ; Panigrahi, Swati ; Sastry, Garikapati Narahari (2014) Noncovalent interaction of carbon nanostructures Accounts of Chemical Research, 47 (8). pp. 2574-2581. ISSN 0001-4842

Premkumar, J. Richard ; Umadevi, Deivasigamani ; Sastry, G. Narahari (2014) Quantifying dispersion interaction: a study of alkane and alkene dimers Indian Journal of Chemistry - Section B: Organic and Medicinal Chemistry, 53A (08-09). pp. 985-991. ISSN 0376-4699

Umadevi, Deivasigamani ; Sastry, G. Narahari (2014) Saturated vs. unsaturated hydrocarbon interactions with carbon nanostructures Frontiers in Chemistry, 2 . 75-11 pages.. ISSN 2296-2646

Umadevi, Deivasigamani ; Sastry, G. Narahari (2013) Impact of the chirality and curvature of carbon nano structure on their interaction with aromatics and aminoacids ChemPhysChem, 14 (11). pp. 2570-2578. ISSN 1439-4235

Sharma, Bhaskar ; Umadevi, Deivasigamani ; Sastry, G. Narahari (2012) Contrasting preferences of N and P substituted heteroaromatics towards metal binding: probing the regioselectivity of Li⁺ and Mg²⁺ binding to (CH)_6−m−nN_mP_n Physical Chemistry Chemical Physics, 14 (40). pp. 13922-13932. ISSN 1463-9076

Umadevi, Deivasigamani ; Sastry, G. Narahari (2012) Metal ion binding with carbon nanotubes and graphene: effect of chirality and curvature Chemical Physics Letters, 549 . pp. 39-43. ISSN 0009-2614

Umadevi, Deivasigamani ; Sastry, G. Narahari (2011) Molecular and ionic interaction with graphene nanoflakes: a computational investigation of CO₂, H₂O, Li, Mg, Li⁺, and Mg²⁺ interaction with polycyclic aromatic hydrocarbons The Journal of Physical Chemistry C, 115 (19). pp. 9656-9667. ISSN 1932-7447

Umadevi, Deivasigamani ; Sastry, G. Narahari (2011) Quantum mechanical study of physisorption of nucleobases on carbon materials: graphene versus carbon nanotubes The Journal of Physical Chemistry Letters, 2 (13). pp. 1572-1576. ISSN 1948-7185