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- [24] Photoelectron spectroscopic studies of porphyrins: Comparisons with density functional and Hartree-Fock calculations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 221 : U705 - U705
- [25] Structure of solvated Fe(CO)5: FTIR/X-ray absorption measurements and their correlation with density functional theory calculations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U504 - U504
- [26] Advances in density functional theory for molecules and materials ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 253
- [29] The Polymorphism of Indomethacin: An Analysis by Density Functional Theory Calculations Pharmaceutical Research, 2008, 25 : 953 - 959
- [30] Density-functional-theory calculations for the silicon vacancy PHYSICAL REVIEW B, 2006, 74 (16):