Energy (eV) of HOMO, LUMO, Gap, hardness and softness of all compounds | Download Table
IJMS | Free Full-Text | Relation of Certain Quantum Chemical Parameters to Lubrication Behavior of Solid Oxides
Computational Insights into the Role of the Frontiers Orbital in the Chemistry of Tridentate Ligands
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 and LUMO - Wikipedia
A DFT study of vibrational spectra of 5-chlorouracil with molecular structure, HOMO–LUMO, MEPs/ESPs and thermodynamic properties | SpringerLink
LUMO (Molecular Orbital) - an overview | ScienceDirect Topics
A THEORETICAL ANALYSIS OF THE KOHN-SHAM AND HARTREE-FOCK ORBITALS AND THEIR USE IN THE DETERMINATION OF ELECTRONIC PROPERTIES
IJMS | Free Full-Text | Chemical Bonding by the Chemical Orthogonal Space of Reactivity
A DFT study of synthetic drug topiroxostat: MEP, HOMO, LUMO | Semantic Scholar
Table 3 from Koopmans' Analysis of Chemical Hardness with Spectral-Like Resolution | Semantic Scholar
Computed E HOMO , E LUMO , HOMO-LUMO gap (∆), chemical hardness (η),... | Download Scientific Diagram
Molecular Docking, Pharmacokinetic, and DFT Calculation of Naproxen and its Degradants
HOMO-LUMO, gap, hardness and softness | Download Scientific Diagram
Molecules | Free Full-Text | Theoretical Study of the Effect of π-Bridge on Optical and Electronic Properties of Carbazole-Based Sensitizers for DSSCs
Study of the Ionization Potential, Electron Affinity and HOMO-LUMO Gaps in the Smal Fullerene Nanostructures
HOMO-LUMO energy gap, electronegativity, electrophilic index and... | Download Table
HOMO and LUMO - Wikipedia
HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
HOMO, LUMO, Kubo gap, global electronegativity, global hardness 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 ...
The energy gap (E LUMO -E HOMO ), chemical reactivity parameters... | Download Table
