Cargando…

A Computational Study of the Electronic Properties of Heterocirculenes: Oxiflowers and Sulflowers

[Image: see text] This study investigated the relationship of electronic properties with some structural parameters of two circulene classes: Sulflowers and Oxiflowers. It is found that correlations between the HOMO-LUMO gap and some electronic properties of these circulenes are opposite to those of...

Descripción completa

Detalles Bibliográficos
Autor principal:	Nguyen, Lam H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8582269/ https://www.ncbi.nlm.nih.gov/pubmed/34778680 http://dx.doi.org/10.1021/acsomega.1c04882

Ejemplares similares

Impact of heterocirculene molecular symmetry upon two-dimensional crystallization
por: Xiao, W. D., et al.
Publicado: (2014)

Quantitative Structure–Property Relationships for the Electronic Properties of Polycyclic Aromatic Hydrocarbons
por: Nguyen, Lam H., et al.
Publicado: (2018)

Application of Machine Learning in Developing Quantitative Structure–Property Relationship for Electronic Properties of Polyaromatic Compounds
por: Nguyen, Tuan H., et al.
Publicado: (2022)

Machine Learning-Based Quantitative Structure–Property Relationships for the Electronic Properties of Cyano Polycyclic Aromatic Hydrocarbons
por: Nguyen, Tuan H., et al.
Publicado: (2022)

Computational insights into structural, electronic, and optical properties of Janus GeSO monolayer
por: Do, Thi-Nga, et al.
Publicado: (2021)

Atom-Based Machine Learning Model for Quantitative Property–Structure Relationship of Electronic Properties of Fusenes and Substituted Fusenes
por: Nguyen, Tuan H., et al.
Publicado: (2023)

Quantum Mechanical-Based Quantitative Structure–Property Relationships for Electronic Properties of Two Large Classes of Organic Semiconductor Materials: Polycyclic Aromatic Hydrocarbons and Thienoacenes
por: Nguyen, Lam H., et al.
Publicado: (2019)

CuO Nanoparticles and Microaggregates: An Experimental and Computational Study of Structure and Electronic Properties
por: Gontrani, Lorenzo, et al.
Publicado: (2023)

Effect of surface oxidation on the electronic transport properties of phosphorene gas sensors: a computational study
por: Marmolejo-Tejada, Juan M., et al.
Publicado: (2020)

A combined experimental and computational study of the effect of electron irradiation on the transport properties of aromatic and aliphatic molecular self-assemblies
por: Tong, Y., et al.
Publicado: (2022)

Tuning electronic and magnetic properties of partially hydrogenated graphene by biaxial tensile strain: a computational study
por: Song, Er Hong, et al.
Publicado: (2014)

Computational Approaches to the Electronic Properties of Noble Metal Nanoclusters Protected by Organic Ligands
por: MUNIZ-MIRANDA, Francesco
Publicado: (2021)

Computational Design of a Lantern Organic Framework
por: Nguyen, Lam H., et al.
Publicado: (2023)

Computational Study of Electron Delocalization in Hexaarylbenzenes
por: Rios, Citlalli, et al.
Publicado: (2014)

Potential anticancer and antioxidant lauric acid-based hydrazone synthesis and computational study toward the electronic properties
por: Assiri, Mohammed A., et al.
Publicado: (2023)

The Influence of Ionic Liquids Adsorption on the Electronic and Optical Properties of Phosphorene and Arsenene with Different Phases: A Computational Study
por: Zhu, Lin, et al.
Publicado: (2022)

Organic Electronics from Nature: Computational Investigation of the Electronic and Optical Properties of the Isomers of Bixin and Norbixin Present in the Achiote Seeds
por: Lima, Igo Tôrres, et al.
Publicado: (2022)

Structural, elastic, and electronic properties of chemically functionalized boron phosphide monolayer
por: Vu, Tuan V., et al.
Publicado: (2021)

Computational Study on the Nature of Bonding between Silver Ions and Nitrogen Ligands
por: Nguyen, Lam H., et al.
Publicado: (2022)

An Experimental and Computational Exploration on the Electronic, Spectroscopic, and Reactivity Properties of Novel Halo-Functionalized Hydrazones
por: Ali, Akbar, et al.
Publicado: (2020)

Electronics for computer technology /
por: Terrell, David L.
Publicado: (2003)

Computational single-electronics
por: Selberherr, S, et al.
Publicado: (2001)

Introduction to electronic computers
por: Davis, Gordon Bitter
Publicado: (1971)

Electronics and computer hardware
por: Pizer, Henry Ian
Publicado: (1985)

Ab-initio and density functional theory (DFT) computational study of the effect of fluorine on the electronic, optical, thermodynamic, hole and electron transport properties of the circumanthracene molecule
por: Tsague, L. Fomekong, et al.
Publicado: (2023)

Structural, electronic and optical properties of pristine and functionalized MgO monolayers: a first principles study
por: Hoat, D. M., et al.
Publicado: (2020)

Diverse Electronic and Magnetic Properties of Chlorination-Related Graphene Nanoribbons
por: Nguyen, Duy Khanh, et al.
Publicado: (2018)

A pilot study on the validity and psychometric properties of the electronic EQ-5D-5L in routine clinical practice
por: Lam, Cindy Lo Kuen, et al.
Publicado: (2021)

First-principles studies of electronic properties in lithium metasilicate (Li(2)SiO(3))
por: Han, Nguyen Thi, et al.
Publicado: (2020)

Electronic and optical properties of Janus ZrSSe by density functional theory
por: Vu, Tuan V., et al.
Publicado: (2019)

Electronic properties of materials /
por: Hummel, Rolf E., 1934-
Publicado: (1993)

Electronic properties of materials /
por: Hummel, Rolf E., 1934-
Publicado: (2001)

Electronic and transport properties
por: Willardson, RK, et al.
Publicado: (1984)

Electronic properties of materials
por: Hummel, Rolf E
Publicado: (1993)

Electronic properties of surfaces
por: Prutton
Publicado: (1984)

Digital computers electronics : an introduction to microcomputers
por: Malvino, Albert Paul
Publicado: (1983)

Effects of Internal Electron-Withdrawing Moieties in D–A−π–A Organic Sensitizers on Photophysical Properties for DSSCs: A Computational Study
por: Chiu, Chih-Chiang, et al.
Publicado: (2018)

Microscopical studies of structural and electronic properties of semiconducuctors
por: Deicher, M, et al.
Publicado: (1990)

Study of electronic properties of gaseous and liquid deuteromethane
por: Barabash, A S, et al.
Publicado: (1999)

Transport properties of electron small polarons in a V(2)O(5) cathode of Li-ion batteries: a computational study
por: Watthaisong, Panuwat, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_9ksi499fvmmrs6tubsitqphs39