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- [21] Ab initio predictions of anomalous optical rotatory dispersionJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1999, 121 (01) : 246 - 247Polavarapu, PLZhao, CX
- [22] Ab initio predictions on novel stuffed polyhedral boranesJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (30) : 7392 - 7393Jemmis, EDBalakrishnarajan, MM
- [23] Endohedral analogs of ferrocene: ab initio theoretical predictionsJOURNAL OF ORGANOMETALLIC CHEMISTRY, 2000, 599 (01) : 18 - 27Chistyakov, ALStankevich, IV
- [24] Ab initio predictions of the heats of formation of nitroprismanes.ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2004, 228 : U526 - U526Hamilton, TPOlubajo, O
- [25] CASP2: Report on ab initio predictionsPROTEINS-STRUCTURE FUNCTION AND GENETICS, 1997, : 151 - 166Lesk, AM
- [26] Ab-initio molecular dynamics study of lanthanides in liquid sodiumJOURNAL OF NUCLEAR MATERIALS, 2017, 484 : 98 - 102Li, XiangSamin, AdibZhang, JinsuoUnal, C.Mariani, R. D.
- [27] Ab initio study of the structural, energetic, bonding, and IR spectroscopic properties of complexes with dihydrogen bondsJOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (40): : 9325 - 9330Alkorta, IElguero, JMó, OYäñez, MDel Bene, JE
- [28] Calphad and AB initio approaches to lattice stabilitiesCALPHAD AND ALLOY THERMODYNAMICS, 2002, : 81 - 91Grimvall, G
- [29] Energy and mechanical properties predictions in Fe-Ni binary system by ab initio calculationsMATERIALS TODAY COMMUNICATIONS, 2022, 33Drozd, VadymAsadikiya, MohammadYang, SonggeZhong, Yu
- [30] Energy and mechanical properties predictions in Fe-Ni binary system by ab initio calculationsMaterials Today Communications, 2022, 33Drozd, VadymAsadikiya, MohammadYang, SonggeZhong, Yu