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- [21] QUANTUM-MECHANICAL RELATIONS IN THE CALCULATION OF HEATS OF FUSION FOR IONIC-CRYSTALS KRISTALL UND TECHNIK-CRYSTAL RESEARCH AND TECHNOLOGY, 1979, 14 (01): : 51 - 61
- [22] Charge-density correlations in pressurized liquid lithium calculated using ab initio molecular dynamics PHYSICAL REVIEW B, 2014, 90 (01):
- [24] ADSORPTION OF HYDROCARBONS ON A DIAMOND (111) SURFACE - AN AB-INITIO QUANTUM-MECHANICAL STUDY PHYSICAL REVIEW B, 1993, 48 (04): : 2666 - 2674
- [25] Dominant folding pathways of a peptide chain from ab initio quantum-mechanical simulations JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (02):
- [26] Local techniques for the ab initio quantum-mechanical description of the chemical properties of crystalline materials JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 621 (1-2): : 141 - 147
- [27] AB-INITIO QUANTUM-MECHANICAL INVESTIGATION ON ROTATIONAL-ISOMERISM IN AMIDES AND ESTERS INTERNATIONAL JOURNAL OF PEPTIDE AND PROTEIN RESEARCH, 1973, 5 (02): : 99 - 107