Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo. | J Chem Phys;159(20)2023 Nov 28. | MEDLINE

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Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo.

Al-Hamdani, Yasmine S; Zen, Andrea; Alfè, Dario.

Affiliation

Al-Hamdani YS; Department of Earth Sciences, University College London, London WC1E 6BT, United Kingdom.
Zen A; Thomas Young Centre, University College London, London WC1E 6BT, United Kingdom.
Alfè D; London Centre for Nanotechnology, University College London, London WC1E 6BT, United Kingdom.

J Chem Phys ; 159(20)2023 Nov 28.

Article in En | MEDLINE | ID: mdl-38018756

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2023 Document type: Article Affiliation country:

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2023 Document type: Article Affiliation country: