Results 281 to 290 of about 46,720 (301)

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 M El-Nahass, M M El-Nahass, M A M El-Mansy   +2 more
exaly  

Median eigenvalues and the HOMO–LUMO index of graphs

Journal of Combinatorial Theory Series B, 2015
Bojan Mohar
exaly  

Lumo's story

The Lancet, 2007
openaire   +1 more source

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
P Gayathri, S Periandy, A Suvitha
exaly  

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

Journal of Molecular Structure, 2023
exaly  

Functional Group Effects on the HOMO–LUMO Gap of g-C3N4

Nanomaterials, 2018
Zhien Zhang, Wanglai Cen, Yulu Liu
exaly  

BSAVA LUMOS

BSAVA Companion
openaire   +2 more sources

The Story of Lumo

2020
openaire   +1 more source

Cas 9 – LUMO

2020
Ramonjy, Dimbi, Cuénoud, Thibault
openaire   +1 more source

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
Balamurugan Natarajan, S Sampathkrishnan   +1 more
exaly