Lv11
10 积分 2025-10-14 加入
Treatment of electronic excitations within the adiabatic approximation of time dependent density functional theory
7分钟前
待确认
Electron affinities of the first‐row atoms revisited. Systematic basis sets and wave functions
2小时前
已完结
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
3小时前
已完结
Density-functional thermochemistry. III. The role of exact exchange
3小时前
已完结
Jahn–Teller and Pseudo-Jahn–Teller Effects: From Particular Features to General Tools in Exploring Molecular and Solid State Properties
2个月前
已完结
An all-metal fullerene: [K@Au12Sb20]5−
3个月前
已完结
Jahn-Teller and Pseudo Jahn-Teller Effects: Influences on the Electronic Structures of Small Transition, Main Group and Mixed Metal Clusters
4个月前
已完结
Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
6个月前
已完结
Theoretical study of hydrogenated Mg, Ca@Al12 clusters
8个月前
已完结
Superatoms: Electronic and Geometric Effects on Reactivity
11个月前
已完结
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