Data for: Molecular modeling and simulation of some efficient charge transfer materials using density functional theory.
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资源简介：
These are the output files for the three molecular systems namely, Tetracyanoquinodimethane (TCNQ)-σ-Pentacene, Tetracyanoquinodimethane (TCNQ)-σ-Coronene and Tetracyanoquinodimethane (TCNQ)-σ-Diphenylpentacene modeled in this study.
创建时间：
2024-01-23
