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30 积分 2025-12-23 加入
Construction of Beyond Born–Oppenheimer‐Based Diabatic Surfaces of o‐C6$_{6}$H4$_{4}$F2+$_{2}^{+}$ Radical Cation: Calculation of Photoelectron and Mass‐Analyzed Threshold Ionization Spectra
1天前
待确认
Density-functional thermochemistry. III. The role of exact exchange
1个月前
已完结
Polyarginine-functionalized AP site probes for mechanistic analysis of uracil–DNA glycosylase via nanopore-based single-molecule sensing
1个月前
已完结
Carcinogen-DNA adducts in cultures of rat and human hepatocytes
1个月前
已完结
Carcinogenicity and Mechanistic Insights on the Behavior of Epoxides and Epoxide‐Forming Chemicals
1个月前
已完结
Detection and quantification of 4-ABP adducts in DNA from bladder cancer patients
3个月前
已完结
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
3个月前
已完结
A practical method for the use of curvilinear coordinates in calculations of normal-mode-projected displacements and Duschinsky rotation matrices for large molecules
3个月前
已完结
First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance
3个月前
已完结
Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance
3个月前
已完结
The metastatic spread of breast cancer accelerates during sleep
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