Results 231 to 240 of about 1,676,724 (246)

HOMO-LUMO gaps of large polycyclic aromatic hydrocarbons and their implication on the quantum confinement behavior of flame-formed carbon nanoparticles

Proceedings of the Combustion Institute, 2023
Nikolaos Kateris, Amitesh S Jayaraman
exaly  

Engineering a Small HOMO–LUMO Gap and Intramolecular C−H Borylation by Diborene/Anthracene Orbital Intercalation

Angewandte Chemie - International Edition, 2017
Rian D. Dewhurst, Alfredo Vargas, Theresa Dellermann   +2 more
exaly  

Excursions of the Fermi Level from the HOMO-LUMO Gap in Finite Systems

Journal of Computational and Theoretical Nanoscience, 2004
Karl Sohlberg
exaly  

How accurate are energies of HOMO and LUMO levels in small-molecule organic semiconductors determined from cyclic voltammetry or optical spectroscopy?

Synthetic Metals, 2018
Juliusz Sworakowski
exaly  

DFT approach for FT-IR spectra and HOMO–LUMO energy gap for -(-dimethylaminobenzylidene)--nitroaniline (DBN)

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2013
M M El-Nahass, M M El-Nahass, M A M El-Mansy   +2 more
exaly  

HOMO-LUMO energy splitting in polycyclic aromatic hydrocarbons and their derivatives

Proceedings of the Combustion Institute, 2019
Hai Wang, Dongping Chen
exaly  

Engineering a Remarkably Low HOMO–LUMO Gap by Covalent Linkage of a Strong π-Donor and a π-Acceptor—Tetrathiafulvalene-σ-Polynitrofluorene Diads: Their Amphoteric Redox Behavior, Electron Transfer and Spectroscopic Properties

Chemistry - A European Journal, 2002
Eric McInnes, Andrei S Batsanov, Martin R. Bryce   +2 more
exaly  

Biradicaloid character of phenalenyl-based aromatic compounds with a small HOMO–LUMO gap

Polyhedron, 2005
Takashi Kubo, Kazuhiro Nakasuji
exaly  

Structural Relationship Between Degree of Unsaturation with Fermi Energy, Chemical Hardness, and The HOMO‐LUMO Gap of (5,5) Armchair Single‐Walled Carbon Nanotubes

Fullerenes Nanotubes and Carbon Nanostructures, 2009
Avat Arman Taherpour
exaly  

Unique Ultralow 18π-Trannulenyl HOMO–LUMO Energy Gap of Photostable Emerald-Green D3d-2-Methylmalonato[60]fullerenes

Journal of Physical Chemistry Letters, 2011
Loon-Seng Tan, Alexey A. Popov, Long Y Chiang   +2 more
exaly