共 50 条
- [21] AB-INITIO AND DENSITY FUNCTIONAL THEORY SIMULATION FOR LACTIDE MONOMER NANOCON 2014, 6TH INTERNATIONAL CONFERENCE, 2015, : 280 - 288
- [22] Ab initio and density functional theory calculations of the energetics of autoxidation reactions ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2005, 229 : U856 - U857
- [24] Ab initio and density functional theory based studies on collagen triplets Theoretical Chemistry Accounts, 2003, 110 : 19 - 27
- [25] A density functional theory and ab initio study of the hydrolysis of dinitrogen pentoxide Chemical Physics Letters, 285 (05):
- [28] Hybrid methods: Combining density functional and wavefunction theory DENSITY FUNCTIONALS: THEORY AND APPLICATIONS, 1998, 500 : 60 - 90
- [29] The ab initio density functional theory applied for spin-polarized calculations JOURNAL OF CHEMICAL PHYSICS, 2020, 152 (05):
- [30] Electron Affinities of Metals Computed by Density Functional Theory and Ab Initio Methods Int J Quant Chem, 1 (93):