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| Vol 4, No 2 (2013) | Effect of anchoring atoms on transport properties of a carbon-dimer based molecular junction: a first principles study | Abstract PDF (Eng) similar documents |
| R. M. Hariharan, D. John Thiruvadigal | ||
| Vol 16, No 4 (2025) | Half-metallic dichalcogenide doped with a transition metal for selective gas adsorption | Abstract PDF (Eng) similar documents |
| A. I. Ayesh | ||
| "... to their impact on the greenhouse effect as well as climate change. Density functional theory (DFT) and first ..." | ||
| Vol 5, No 4 (2014) | Boron-doped anatase: electronic band structure, boron atom locations and magnetic state | Abstract PDF (Eng) similar documents |
| V. P. Zhukov | ||
| "... The first-principle spin-resolved GGA and GGA+U calculations for the electronic band structure ..." | ||
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