Results 241 to 250 of about 89,778 (250)

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  

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

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

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

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

NBO, HOMO–LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF–DFT computational methods

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2015
A Suvitha, S Periandy, P Gayathri
exaly  

Quantum mechanical analysis, spectroscopic (FT-IR, FT-Raman, UV-Visible) study, and HOMO-LUMO analysis of (1 S ,2 R )-2-amino-1-phenylpropan-1-ol using Density Functional Theory

Journal of Molecular Liquids, 2017
S Sampathkrishnan, N Balamurugan
exaly  

Design of highly stable thermally activated delayed fluorescence emitters via the overlap degree of HOMO-LUMO distributions

Journal of Molecular Structure, 2023
exaly  

Spatially separated HOMO-LUMO sites in highly intra- and inter-plane crystalline g-C3N4 photocatalyst for exceptional H2 generation

Applied Catalysis B: Environmental
Xinhe Wu, Huogen Yu, Duoduo Gao
exaly  

On the reliability of determination of energies of HOMO and LUMO levels in organic semiconductors from electrochemical measurements. A simple picture based on the electrostatic model

Organic Electronics, 2016
Juliusz Sworakowski, Józef Lipinski, Krzysztof Janus   +2 more
exaly  

Accurate Prediction of HOMO–LUMO Gap Using DFT Functional and Application to Next‐Generation Organic Telluro[n]Helicenes Materials

Journal of Computational Chemistry
Rahul Kar, Dilip K Maity, Rahul Kumar
exaly  

EVALUATION OF HOMO, LUMO, LOMO ENERGIES FOR NON-ALTERNANT HYDROCARBONS

Acta Physico-Chimica Sinica, 1985
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