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Ish: Sequential hydrogen adsorption and TiH₂ orbital hybridization on Ti-decorated C₆₀ fullerene: a spin-polarized DFT study
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof
Maqola1996198 iqtibosABIQUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi, Stefano Baroni, Nicola Bonini +30
MaqolaOchiq kirish200929 iqtibosABIAdvanced capabilities for materials modelling with Quantum ESPRESSO
Paolo Giannozzi, O Andreussi, T Brumme +47
MaqolaOchiq kirish201711 iqtibosABIStorage of hydrogen in single-walled carbon nanotubes
Anne C. Dillon, K. M. Jones, T. Bekkedahl +3
Maqola19977 iqtibosABISolid C60: a new form of carbon
Wolfgang Krätschmer, Lowell D. Lamb, K. Fostiropoulos +1
Maqola19907 iqtibosABIQ<scp>uantum</scp> ESPRESSO toward the exascale
Paolo Giannozzi, Oscar Baseggio, Pietro Bonfà +12
MaqolaOchiq kirish20205 iqtibosABI