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30 积分 2021-03-29 加入
Accurate molecular structures and infrared spectra of trans-2,3-dideuterooxirane, methyloxirane, and trans-2,3-dimethyloxirane
2小时前
求助中
Ru3@Mo2CO2 MXene single-cluster catalyst for highly efficient N2-to-NH3 conversion
1个月前
已完结
Ru3@Mo2CO2 MXene single-cluster catalyst for highly efficient N2-to-NH3 conversion
1个月前
已完结
Canonical dynamics: Equilibrium phase-space distributions
2个月前
已完结
A unified formulation of the constant temperature molecular dynamics methods
2个月前
已完结
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
2个月前
已完结
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
2个月前
已完结
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
2个月前
已完结
Generalized Gradient Approximation Made Simple
2个月前
已完结
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set
2个月前
已完结
NiFeLDH/Mo4/3B2-xTz/NF composite electrodes to enhance oxygen evolution performance
Surgical outcome in relation to duct size at the porta hepatis and the use of cholagogues in patients with biliary atresia
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