共 50 条
- [21] Density-functional molecular dynamics simulations of shocked molecular liquids SHOCK COMPRESSION OF CONDENSED MATTER-2001, PTS 1 AND 2, PROCEEDINGS, 2002, 620 : 91 - 94
- [25] STRUCTURES OF THE WATER HEXAMER USING DENSITY-FUNCTIONAL METHODS JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (05): : 4472 - 4473
- [26] Study of hydrogen abstraction reactions by density-functional methods Chemical Physics Letters, 271 (4-6):
- [28] Expansion of the density-functional energy components Ec and Tc in terms of moments of the electron density PHYSICAL REVIEW A, 1999, 59 (02): : 1131 - 1134
- [29] Density-functional theory vs density-functional fits: The best of both JOURNAL OF CHEMICAL PHYSICS, 2022, 157 (23):
- [30] Low thermal expansion of layered electrides predicted by density-functional theory JOURNAL OF CHEMICAL PHYSICS, 2023, 159 (17):