General Force-Field Parametrization Scheme for Molecular Dynamics Simulations of Conjugated Materials in Solution-Reference-Cited by-同舟云学术

General Force-Field Parametrization Scheme for Molecular Dynamics Simulations of Conjugated Materials in Solution

Published:2016-07-21 Issue:8 Volume:12 Page:3813-3824
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wildman Jack¹,Repiščák Peter¹,Paterson Martin J.¹,Galbraith Ian¹

Affiliation:

1. Institute for Photonics and Quantum Sciences, School of Engineering and Physical Sciences, SUPA and ‡Institute of Chemical Sciences, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS, United Kingdom

Funder

Engineering and Physical Sciences Research Council

European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b01195

Reference63 articles.

1. Designing π-conjugated polymers for organic electronics

2. Recent progress of high performance polymer OLED and OPV materials for organic printed electronics

3. Modern Drifts in Conjugated Polymers and Nanocomposites for Organic Solar Cells: A Review

4. Determining the optimum morphology in high-performance polymer-fullerene organic photovoltaic cells

5. Effect of Packing on Formation of Deep Carrier Traps in Amorphous Conjugated Polymers

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