| Electronic structure, optical properties, and bonding in alkaline-earth halofluoride scintillators: BaClF, BaBrF, and BaIF N Yedukondalu, KR Babu, C Bheemalingam, DJ Singh, G Vaitheeswaran, ... Physical Review B—Condensed Matter and Materials Physics 83 (16), 165117, 2011 | 40 | 2011 |
| Computational Study of Structural, Electronic and Optical Properties of Crystalline NH4N3 N Yedukondalu, VD Ghule, V Ganapathy The Journal of Physical Chemistry C 116 (32), 16910–16917, 2012 | 38 | 2012 |
| Phase stability and lattice dynamics of ammonium azide under hydrostatic compression N Yedukondalu, G Vaitheeswaran, P Anees, MC Valsakumar Physical Chemistry Chemical Physics 17 (43), 29210-29225, 2015 | 24 | 2015 |
| Ab initio study of electronic structure, elastic and optical properties of anti-perovskite type alkali metal oxyhalides J Ramanna, N Yedukondalu, KR Babu, G Vaitheeswaran Solid state sciences 20, 120-126, 2013 | 24 | 2013 |
| Pressure induced structural phase transition in solid oxidizer KClO3: A first-principles study N Yedukondalu, VD Ghule, G Vaitheeswaran The Journal of Chemical Physics 138 (17), 2013 | 21 | 2013 |
| Assessing therapeutic potential of molecules: molecular property diagnostic suite for tuberculosis AS Gaur, A Bhardwaj, A Sharma, L John, MR Vivek, N Tripathi, ... Journal of Chemical Sciences 129, 515-531, 2017 | 20 | 2017 |
| Structural, electronic and optical properties of novel carbonate fluorides ABCO3F (A= K, Rb, Cs; B= Ca, Sr) EN Rao, S Appalakondaiah, N Yedukondalu, G Vaitheeswaran Journal of Solid State Chemistry 212, 171-179, 2014 | 20 | 2014 |
| High pressure structural, elastic and vibrational properties of green energetic oxidizer ammonium dinitramide N Yedukondalu, VD Ghule, G Vaitheeswaran The Journal of Chemical Physics 145 (6), 2016 | 19 | 2016 |
| Polymorphism, phase transition, and lattice dynamics of energetic oxidizer ammonium perchlorate under high pressure N Yedukondalu, G Vaitheeswaran The Journal of Physical Chemistry C 123 (4), 2114-2126, 2019 | 17 | 2019 |
| Structural properties of solid energetic materials: a van der Waals density functional study G Vaitheeswaran, KR Babu, N Yedukondalu, S Appalakondaiah Current Science, 1219-1223, 2014 | 16 | 2014 |
| Ab initio study of scintillating lanthanide oxyhalide host materials G Shwetha, V Kanchana, N Yedukondalu, G Vaitheeswaran Materials Research Express 2 (10), 105901, 2015 | 15 | 2015 |
| Ab-initio study of structural, vibrational and optical properties of solid oxidizers N Yedukondalu, G Vaitheeswaran Materials Chemistry and Physics 181, 54-66, 2016 | 14 | 2016 |
| Lattice Instability and Ultralow Lattice Thermal Conductivity of Layered PbIF N Yedukondalu, A Shafique, SC Rakesh Roshan, M Barhoumi, ... ACS Applied Materials & Interfaces 14 (36), 40738-40748, 2022 | 11 | 2022 |
| Unraveling the hidden martensitic phase transition in BaClF and PbClF under high pressure using an ab initio evolutionary approach N Yedukondalu, MM Davari Esfahani Inorganic chemistry 58 (9), 5886-5899, 2019 | 11 | 2019 |
| Structural, elastic, electronic and optical properties of layered alkaline-earth halofluoride scintillators V Kanchana, N Yedukondalu, G Vaitheeswaran Philosophical Magazine 93 (26), 3563-3575, 2013 | 11 | 2013 |
| Anomalous lattice thermal conductivity in rocksalt IIA–VIA compounds SC Rakesh Roshan, N Yedukondalu, R Muthaiah, K Lavanya, P Anees, ... ACS Applied Energy Materials 5 (1), 882-896, 2021 | 9 | 2021 |
| Pressure-Induced Martensitic Phase Transition and Low Lattice Thermal Conductivity of SrClF L Kunduru, N Yedukondalu, SCR Roshan, S Sripada, M Sainath, L Ehm, ... The Journal of Physical Chemistry C 125 (31), 17261-17270, 2021 | 9 | 2021 |
| Structural, Vibrational, and Electronic Properties of 1D-TlInTe2 under High Pressure: A Combined Experimental and Theoretical Study S Yesudhas, N Yedukondalu, MK Jana, J Zhang, J Huang, B Chen, ... Inorganic Chemistry 60 (13), 9320-9331, 2021 | 9 | 2021 |
| Prediction and synthesis of dysprosium hydride phases at high pressure NP Salke, MM Davari Esfahani, N Yedukondalu, Y Zhang, IA Kruglov, ... Inorganic Chemistry 59 (8), 5303-5312, 2020 | 9 | 2020 |
| Structural stability, vibrational, and bonding properties of potassium 1, 1′-dinitroamino-5, 5′-bistetrazolate: An emerging green primary explosive N Yedukondalu, G Vaitheeswaran The Journal of Chemical Physics 143 (6), 2015 | 8 | 2015 |
