Lv5
1520 积分 2021-05-15 加入
Theoretical Insights into Multi-Field-Modulated Donor-Acceptor Cyclo[n]carbon Rectifiers
11天前
已关闭
Dispersion-controlled adsorption of Noble gases on Cyclo[18]carbon: Insights into structure, electronic spectra, and optical response
1个月前
已关闭
Robustness and reliability of different CASPT2 flavors for nonadiabatic molecular dynamics
1个月前
已完结
Size effects in large cyclo[26]carbon: a theoretical study
1个月前
已完结
FukuiGrid: A Python code for c-DFT in Solid-State Chemistry
5个月前
已完结
cQTP25: A new exchange–correlation functional for core-electron ionization energy
6个月前
已关闭
The structure, binding mechanism and properties of hollow layered and sandwiched TATB@C18 and TNT@C18 composites: a DFT study
7个月前
已完结
On the use of reduced active space in CASSCF calculations
7个月前
已完结
A direct method for the location of the lowest energy point on a potential surface crossing
7个月前
已完结
Temperature dependent activation energy for electron transfer between biological molecules
7个月前
已完结
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