Lv3
272 积分 2023-12-03 加入
Nonadiabatic dynamics simulations on internal conversion and intersystem crossing processes in gold(i) compounds
5个月前
已完结
Generalized trajectory surface-hopping method for internal conversion and intersystem crossing
5个月前
已完结
First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels
5个月前
已完结
First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance
5个月前
已完结
Nonadiabatic effects in electronic and nuclear dynamics
5个月前
已完结
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
5个月前
已完结
Including quantum decoherence in surface hopping
5个月前
已完结
Non-adiabatic dynamics simulations reveal the reversal of photoinduced electron transfer in zinc phthalocyanine/endohedral metallofullerene donor–acceptor complexes via substitution and solvent effects
5个月前
已完结
Self-Assembled Monolayers of C60–Triphenylamine Dyads as Photo-Switched Interfacial Layers for Potential Application in Photovoltaic Cells
6个月前
已完结
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