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20082024
most citedFortran 90 implementation of the Hartree-Fock approach within the CNDO/2 and INDO models

4 citations · 4 across the 4 of their papers we have counts for

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cond-mat.mtrl-sci2024

Feasibility of Li decorated Si6C14 and Si8C12 nanocages as promising hydrogen storage media: A computational study

Ankita Jaiswal, Rakesh K. Sahoo, Sridhar Sahu

This article presents the reversible hydrogen storage capacities of Li-decorated Si6C14 and Si8C12 using Density Functional Theory (DFT). The chemical stabilities of the designed S…