Force Fields for Macromolecular Assemblies Containing Diketopyrrolopyrrole and Thiophene-Reference-Cited by-同舟云学术

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Force Fields for Macromolecular Assemblies Containing Diketopyrrolopyrrole and Thiophene

Published:2020-07-10 Issue:8 Volume:16 Page:5150-5162
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Jiang Ling¹,Rogers David M.²,Hirst Jonathan D.²^ORCID,Do Hainam¹³^ORCID

Affiliation:

1. Department of Chemical and Environmental Engineering, University of Nottingham—Ningbo China, Ningbo 315100, China

2. School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom

3. New Materials Institute, University of Nottingham—Ningbo China, Ningbo 315042, China

Funder

University of Nottingham

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00399

Reference73 articles.

1. Quantitative Determination of Organic Semiconductor Microstructure from the Molecular to Device Scale

2. Carbazole Compounds as Host Materials for Triplet Emitters in Organic Light-Emitting Diodes: Tuning the HOMO Level without Influencing the Triplet Energy in Small Molecules

3. The Consequences of Interface Mixing on Organic Photovoltaic Device Characteristics

4. High-Performance Air-Stable Organic Field-Effect Transistors: Isoindigo-Based Conjugated Polymers

5. Thieno[3,2-b]thiophene−Diketopyrrolopyrrole-Containing Polymers for High-Performance Organic Field-Effect Transistors and Organic Photovoltaic Devices

Cited by 10 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins;The Journal of Physical Chemistry B;2024-07-22

2. Dynamic Disorder Drives Exciton Dynamics in Diketopyrrolopyrrole–Thiophene-Containing Molecular Crystals;The Journal of Physical Chemistry C;2023-03-10

3. Intrinsic influence of selenium substitution in thiophene and benzo-2,1,3-thiadiazole on the electronic structure, excited states and photovoltaic performances evaluated using theoretical calculations;New Journal of Chemistry;2023

4. Electronic circular dichroism of proteins computed using a diabatisation scheme;Molecular Physics;2022-10-27

5. Accurate Quantum-Mechanically Derived Force-Fields through a Fragment-Based Approach: Balancing Specificity and Transferability in the Prediction of Self-Assembly in Soft Matter;Journal of Chemical Theory and Computation;2022-10-19

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