Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic‐type reactions-Reference-Cited by-同舟云学术

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Thermochemical stabilities of giant fullerenes using density functional tight binding theory and isodesmic‐type reactions

Published:2020-11-20 Issue:4 Volume:42 Page:222-230
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Waite Simone L.¹,Karton Amir²^ORCID,Chan Bun³^ORCID,Page Alister J.¹^ORCID

Affiliation:

1. School of Environmental and Life Sciences The University of Newcastle Callaghan New South Wales Australia

2. School of Molecular Sciences University of Western Australia Perth Western Australia Australia

3. Graduate School of Engineering Nagasaki University Nagasaki Japan

Funder

Australian Research Council

Japan Society for the Promotion of Science

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26449

Reference61 articles.

1. Preparation and Characterization of Fulleroid and Methanofullerene Derivatives

2. Synthesis of C60 derivatives for polymer photovoltaic cell

3. Photovoltaic action of conjugated polymer/fullerene bulk heterojunction solar cells using novel PPE-PPV copolymers

4. Soluble Narrow Band Gap and Blue Propylenedioxythiophene-Cyanovinylene Polymers as Multifunctional Materials for Photovoltaic and Electrochromic Applications

5. Photovoltaic properties of the organic–inorganic photodiode based on polymer and fullerene blend for optical sensors

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1. Lockstep-Parallel Dualization of Surface Triangulations;Proceedings of the Platform for Advanced Scientific Computing Conference;2024-06-03

2. Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method;Journal of Chemical Theory and Computation;2023-10-27

3. Theoretical Study on the Structure and Spectral Properties of Several Classical C₈₄ Isomers and Their Newly Synthesized Derivatives;The Journal of Physical Chemistry A;2023-06-27

4. Interaction of biopolymers with graphene for bio-electronic applications;Optical and Quantum Electronics;2023-05-15

5. Computational insights into the singlet–triplet energy gaps, ionization energies, and electron affinities for a diverse set of 812 small fullerenes (C₂₀–C₅₀);Physical Chemistry Chemical Physics;2023

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