Literature DB >> 28565912

Are Electron Affinity and Ionization Potential Intrinsic Parameters to Predict the Electron or Hole Acceptor Character of Amorphous Molecular Materials?

Enrique Louis, Emilio San-Fabián, María A Díaz-García, Guillermo Chiappe, José A Vergés1.   

Abstract

Entities:  

Year:  2017        PMID： 28565912     DOI： 10.1021/acs.jpclett.7b00681

Source DB:  PubMed          Journal:  J Phys Chem Lett        ISSN： 1948-7185            Impact factor:   6.475


× No keyword cloud information.
  5 in total

1.  DFT and TD-DFT study on quadratic NLO response and optoelectronic activity in novel Y-shaped imidazole-based push-pull chromophores.

Authors:  Lamia Kara Zaitri; Sidi Mohamed Mekelleche
Journal:  J Mol Model       Date:  2021-04-26       Impact factor: 1.810

2.  Read between the Molecules: Computational Insights into Organic Semiconductors.

Authors:  Ganna Gryn'ova; Kun-Han Lin; Clémence Corminboeuf
Journal:  J Am Chem Soc       Date:  2018-11-19       Impact factor: 15.419

3.  2,1,3-Benzothiadiazole Small Donor Molecules: A DFT Study, Synthesis, and Optoelectronic Properties.

Authors:  Dorota Zając; Damian Honisz; Mieczysław Łapkowski; Jadwiga Sołoducho
Journal:  Molecules       Date:  2021-02-24       Impact factor: 4.411

4.  Generalization on Entropy-Ruled Charge and Energy Transport for Organic Solids and Biomolecular Aggregates.

Authors:  Karuppuchamy Navamani; Kanakaraj Rajkumar
Journal:  ACS Omega       Date:  2022-07-29

5.  Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity.

Authors:  Ali Alsalme; T Pooventhiran; Nabil Al-Zaqri; D Jagadeeswara Rao; Siriki Srinivasa Rao; Renjith Thomas
Journal:  J Mol Model       Date:  2020-11-16       Impact factor: 1.810
  5 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.