HOMO, LUMO, Kubo gap, global electronegativity, global hardness and... | Download Table
Computed E HOMO , E LUMO , HOMO-LUMO gap (∆), chemical hardness (η),... | Download Scientific Diagram
IJMS | Free Full-Text | Relation of Certain Quantum Chemical Parameters to Lubrication Behavior of Solid Oxides
HOMO and LUMO energy, band gap, chemical potential, softness and... | Download Scientific Diagram
HOMO-LUMO energy gap, electronegativity, electrophilicity, index and... | Download Table
Energy (eV) of HOMO, LUMO, Gap, hardness and softness of all compounds | Download Table
Table 2 from Primary amine-based palladium(II) complexes as catalysts for Suzuki-Miyaura reaction: Experimental and theoretical investigations on the effects of substituents on nitrogen atom | Semantic Scholar
HOMO–LUMO energy interactions between endocrine disrupting chemicals and ionic liquids using the density functional theory: Evaluation and comparison - ScienceDirect
The energy gap (E LUMO -E HOMO ), chemical reactivity parameters... | Download Table
HOMO and LUMO - Wikipedia
IJMS | Free Full-Text | Chemical Bonding by the Chemical Orthogonal Space of Reactivity
Molecules | Free Full-Text | Theoretical Study of the Effect of π-Bridge on Optical and Electronic Properties of Carbazole-Based Sensitizers for DSSCs
Physical and bioactive properties of amide derivatives of L-isoleucine using theoretical calculation: drug-likeness, DFT and pharmacokinetics / Volume 2 No 1 (2022) / Articles - UNEC Journal of Engineering and Applied Sciences
MOLECULAR STRUCTURE, NBO AND HOMO-LUMO ANALYSIS OF QUERCETIN ON SINGLE LAYER GRAPHENE BY DENSITY FUNCTIONAL THEORY
Study of the Ionization Potential, Electron Affinity and HOMO-LUMO Gaps in the Smal Fullerene Nanostructures
Energy (eV) of HOMO, LUMO, gap, hardness, softness and chemical... | Download Table
HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
Molecular Docking, Pharmacokinetic, and DFT Calculation of Naproxen and its Degradants
HOMO-LUMO energy gap, electronegativity, electrophilic index and... | Download Table
DFT calculations on molecular structures, HOMO–LUMO study, reactivity descriptors and spectral analyses of newly synthesized diorganotin(IV) 2‐chloridophenylacetohydroxamate complexes - Choudhary - 2019 - Journal of Computational Chemistry - Wiley ...
Energy of HOMO, LUMO and chemical hardness | Download Scientific Diagram
![DFT Studies on Molecular Structure, Thermodynamics Parameters, HOMO-LUMO and Spectral Analysis of Pharmaceuticals Compound Quinoline (Benzo[b]Pyridine)](https://html.scirp.org/file/1-7100291x9.png?20220818164625653 "DFT Studies on Molecular Structure, Thermodynamics Parameters, HOMO-LUMO and Spectral Analysis of Pharmaceuticals Compound Quinoline (Benzo[b]Pyridine)")
DFT Studies on Molecular Structure, Thermodynamics Parameters, HOMO-LUMO and Spectral Analysis of Pharmaceuticals Compound Quinoline (Benzo[b]Pyridine)
LUMO (Molecular Orbital) - an overview | ScienceDirect Topics
A DFT study of vibrational spectra of 5-chlorouracil with molecular structure, HOMO–LUMO, MEPs/ESPs and thermodynamic properties | SpringerLink
