共 50 条
- [1] Ab initio and density functional studies on substituted cyclotriphosphazenes ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1998, 216 : U75 - U76
- [4] Ab initio HF and density-functional theory studies on the structure and vibrational frequency of huperzine A JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1999, 488 : 21 - 28
- [5] Ab initio density-functional studies of 13-atom Cu and Ag clusters RECENT DEVELOPMENTS IN COMPUTER SIMULATION STUDIES IN CONDENSED MATTER PHYSICS, 2019, 1252
- [7] Introduction to density-functional theory and ab-initio molecular dynamics QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, 2002, 21 (02): : 97 - 104
- [8] AB-INITIO DENSITY-FUNCTIONAL THEORY OF ELECTRONIC-STRUCTURE ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 344 - PHYS
- [9] AB-INITIO AND DENSITY-FUNCTIONAL CALCULATIONS ON ETHYLENE-GLYCOL JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (04): : 1121 - 1128