| Ab initio molecular-dynamics simulation of solvation in water LM Ramaniah, M Bernasconi, M Parrinello The Journal of chemical physics 111 (4), 1587-1591, 1999 | 215 | 1999 |
| Optical absorption in semiconductor quantum dots: A tight-binding approach LM Ramaniah, SV Nair Physical Review B 47 (12), 7132, 1993 | 160 | 1993 |
| Density-functional study of hydration of sodium in water clusters LM Ramaniah, M Bernasconi, M Parrinello The Journal of chemical physics 109 (16), 6839-6843, 1998 | 101 | 1998 |
| Electron states in a quantum dot in an effective-bond-orbital model SV Nair, LM Ramaniah, KC Rustagi Physical Review B 45 (11), 5969, 1992 | 89 | 1992 |
| First principles study on hydrogen storage in yttrium doped graphyne: role of acetylene linkage in enhancing hydrogen storage A Gangan, B Chakraborty, LM Ramaniah, S Banerjee International Journal of Hydrogen Energy 44 (31), 16735-16744, 2019 | 84 | 2019 |
| Magnetic moment controlling desorption temperature in hydrogen storage: a case of zirconium-doped graphene as a high capacity hydrogen storage medium A Yadav, B Chakraborty, A Gangan, N Patel, MR Press, LM Ramaniah The Journal of Physical Chemistry C 121 (31), 16721-16730, 2017 | 64 | 2017 |
| Effect of graphene oxide loading on TiO2: Morphological, optical, interfacial charge dynamics-A combined experimental and theoretical study A Yadav, M Yadav, S Gupta, Y Popat, A Gangan, B Chakraborty, ... Carbon 143, 51-62, 2019 | 42 | 2019 |
| Chemical reactivity analysis of some alkylating drug molecules–A density functional theory approach V Kumar, G Jain, S Kishor, LM Ramaniah Computational and Theoretical Chemistry 968 (1-3), 18-25, 2011 | 36 | 2011 |
| Room-temperature ferromagnetism in carbon-doped for spintronic applications: A density functional theory study B Chakraborty, PK Nandi, Y Kawazoe, LM Ramaniah Physical Review B 97 (18), 184411, 2018 | 30 | 2018 |
| Structural, electronic, and optical properties of the diindenoperylene molecule from first-principles density-functional theory LM Ramaniah, M Boero Physical Review A 74 (4), 042505, 2006 | 28 | 2006 |
| Electronic, magnetic and spectroscopic properties of doped Mn (1− x) AxWO4 (A= Co, Cu, Ni and Fe) multiferroic: an experimental and DFT study P Mal, G Bera, P Rambabu, GR Turpu, B Chakraborty, LM Ramaniah, ... Journal of Physics: Condensed Matter 29 (7), 075901, 2016 | 24 | 2016 |
| Structural and energetic properties of α-amino acids: a first principles density functional study S Kishor, S Dhayal, M Mathur, LM Ramaniah Molecular Physics 106 (19), 2289-2300, 2008 | 24 | 2008 |
| Density functional investigation and some optical experiments on dye-sensitized quantum dots K Jain, S Kaniyankandy, S Kishor, I Josefsson, HN Ghosh, KS Singh, ... Physical Chemistry Chemical Physics 17 (43), 28683-28696, 2015 | 23 | 2015 |
| Exploring d0 magnetism in doped SnO2–a first principles DFT study B Chakraborty, LM Ramaniah Journal of Magnetism and Magnetic Materials 385, 207-216, 2015 | 22 | 2015 |
| Tantalum-fullerene clusters: A first-principles study of static properties and dynamical behavior LM Ramaniah, M Boero, M Laghate Physical Review B 70 (3), 035411, 2004 | 22 | 2004 |
| Room temperature ferromagnetism in carbon doped MoO3 for spintronic applications: a DFT study BA Davis, B Chakraborty, N Kalarikkal, LM Ramaniah Journal of Magnetism and Magnetic Materials 502, 166503, 2020 | 21 | 2020 |
| Green CsSnX3 (X = Cl, Br, I)-Derived Quantum Dots for Photovoltaic Applications: First-Principles Investigations B Kshirsagar, N Jaykhedkar, K Jain, S Kishor, V Shah, LM Ramaniah, ... The Journal of Physical Chemistry C 125 (4), 2592-2606, 2021 | 18 | 2021 |
| Room temperature d0 ferromagnetism in hole doped Y2O3: widening the choice of host to tailor DMS B Chakraborty, LM Ramaniah Journal of Physics: Condensed Matter 28 (33), 336001, 2016 | 17 | 2016 |
| Linear and nonlinear optical response of spherical anisotropic semiconductor microcrystallites LM Ramaniah, SV Nair, KC Rustagi Physical Review B 40 (18), 12423, 1989 | 16 | 1989 |
| Capacity of nano-reactors of AOT micro-emulsions to form and sustain ultra small semiconductor quantum dots PD Sawant, LM Ramaniah, C Manohar Journal of nanoscience and nanotechnology 6 (1), 241-247, 2006 | 14 | 2006 |
Dr. Brahmananda ChakrabortyBhabha Atomic Research CentreVerified email at barc.gov.in
