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90 积分
2024-05-08 加入
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PXLink: A simulation program of polymer crosslinking to study of polyamide membrane
6天前
已完结
QTAIM Atomic Charge and Polarization Parameters and Their Machine-Learning Transference among Boron-Halide Molecules
9天前
已完结
QTAIM Atomic Charge and Polarization Parameters and Their Machine-Learning Transference among Boron-Halide Molecules
9天前
已完结
Accurate and Efficient Prediction of Post-Hartree–Fock Polarizabilities of Condensed-Phase Systems
9天前
已完结
Describing Molecular Polarizability by a Bond Capacity Model
13天前
已完结
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
15天前
已完结
Accurate Atom–Dipole Interaction Model for Prediction of Electro-optical Properties: From van der Waals Aggregates to Covalently Bonded Clusters
15天前
已完结
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
15天前
已完结
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
15天前
已完结
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
15天前
已关闭
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不是正式版的
9天前
求不到【积分已退回】
15天前
不是JCP的正式版
15天前
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