Lv31
390 积分 2022-10-03 加入
Validity of current force fields for simulations on boron nitride nanotubes
3小时前
待确认
Theoretical study on charge distribution in cetylpyridinium cationic surfactant
3小时前
已完结
Atomic charges in molecules defined by molecular real space partition into atomic subspaces
4小时前
待确认
Molecular electrostatic potential as a general and versatile indicator for electronic substituent effects: statistical analysis and applications
4小时前
已完结
What is ab initio?
2个月前
已完结
Quantum Mechanics
2个月前
已完结
U2N@Ih(7)-C80: fullerene cage encapsulating an unsymmetrical U(iv)NU(v) cluster
4个月前
已完结
Electronic excitation of molecules in solution calculated using the symmetry-adapted cluster–configuration interaction method in the polarizable continuum model
5个月前
已完结
Polarization effects in ionic systems from first principles
5个月前
已完结
Electronic interactions and charge transfers of metal atoms and clusters on oxide surfaces
5个月前
已完结
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