共 50 条
- [22] First-principles study of the structural phase transition process of solid nitrogen under pressure Journal of Molecular Modeling, 2021, 27
- [23] FIRST-PRINCIPLES SIMULATIONS OF ALLOY THERMODYNAMICS IN MEGABAR PRESSURE RANGE HIGH-PRESSURE CRYSTALLOGRAPHY: FROM FUNDAMENTAL PHENOMENA TO TECHNOLOGICAL APPLICATIONS, 2010, : 341 - 351
- [24] First-principles descriptors for molecular heterocycles that promote CO2 reduction ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247
- [27] A first-principles study of the structural, electronic and elastic properties of solid nitromethane under pressure Science China Physics, Mechanics and Astronomy, 2013, 56 : 1874 - 1881
- [30] First-principles investigations of aqueous phase CO2 reduction by borohydrides ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 251