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- 539.6.05 13
- Chemistry, Physical and theoretical -- Periodicals 13
- Chimie physique et théorique -- Périodiques 13
- Molecules -- Periodicals 13
- Molécules -- Périodiques 13
- 71.20. Mq -- 71.22. +i -- 72.10.-d 1
- Armchair boron nitride nanoribbons -- local twist -- Slater–Koster tight-binding model -- local torsional deformation -- DFTB 1
- Co2FeZ Heusler compounds -- first principles -- L21 phase -- elastic constant -- density of states 1
- Coronene fractals -- graph entropies -- machine learning -- enthalpies -- NMR and ESR 1
- DFT -- RunV clusters -- adsorption -- electronic sensitivity -- H2S dissociation 1