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Trajectory and topology files for MD simulations of P3HT

NIAID Data Ecosystem2026-03-14 收录

P3HT分子动力学模拟

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数据链接：

https://figshare.com/articles/dataset/Trajectory_and_topology_files_for_MD_simulations_of_P3HT/21817578 数据链接链接失效反馈

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资源简介：

Topology files for GROMACS simulations and relevant trajectory files (in a MATLAB format).

应用场景：

创建时间：

2023-01-06

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手性光电传感

Chiral organic optoelectronics using circularly polarized light (CPL) as the key element in the photonic signal has recently emerged as a next-generation photonic technology. However, it remains chall

NIAID Data Ecosystem80

extended fig. 1-3_UPS_LE-IPES

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光谱分析

SF1_UPS_LE-IPES.txt: UPS and LE-IPES spectra of ITIC-4F, ITIC-4Cl, ITIC, ICC6 and PC71BM SF2_UPS_LE-IPES.txt: UPS and LE-IPES spectra of PBDB-T-SF, IDTTBM, O-IDTBR, Y6 and BT-CIC SF3_UPS_LE-IPES

DataCite Commons2020-12-19 更新50

fluorene_DPP series.zip

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材料表征

The data consists of raw data (mainly .csv format) supporting figures for synthetic procedures, polymer characterization results from 1H NMR spectroscopy and gel permeation chromatography techniques,

DataCite Commons2025-05-28 更新30

Source data for “Site-Specific Chemical Doping Reveals Electron Atmospheres at the Surfaces of Organic Semiconductor Crystals”

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化学掺杂

These data are source data for the paper of “Site-Specific Chemical Doping Reveals Electron Atmospheres at the Surfaces of Organic Semiconductor Crystals”.

DataCite Commons2024-03-01 更新70

Azaboradibenzo[6]helicene: Carrier Inversion Induced by Helical Homochirality

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分子堆积与电性关联

Azaboradibenzo[6]helicene, a new semiconductor material possessing helical chirality, has been synthesized via a tandem bora-Friedel–Crafts-type reaction. Unprecedented carrier inversion between the

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Trajectory and topology files for MD simulations of P3HT

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