Redox Potentials of Ligands and Complexes – a DFT Approach
Energy of HOMO/LUMO orbitals and other reactivity descriptors. | Download Scientific Diagram
Electron affinity, ionization potential, molecular softness,... | Download Table
Covalent inhibitor reactivity prediction by the electrophilicity index—in and out of scope | SpringerLink
Electrophilicity index as a possible descriptor of biological activity
HOMO and LUMO orbital energies (eV) and global reactivity descriptors... | Download Scientific Diagram
Electrophilicity Index | Chemical Reviews
Vibrational spectra, NBO, HOMO-LUMO and conformational stability studies of 4-hydroxythiobenzamide. | Semantic Scholar
Molecules | Free Full-Text | Molecular Structure and Antioxidant Properties of Alkali Metal Salts of Rosmarinic Acid. Experimental and DFT Studies
Periodic Chart of the Computed Electrophilicity Index Values of 97... | Download Scientific Diagram
Calculated HOMO energies, LUMO energies, ionization energies, electron... | Download Table
![Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and ...](https://journals.sagepub.com/cms/10.1177/1747519820932091/asset/images/large/10.1177_1747519820932091-fig4.jpeg "Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and ...")
Theoretical investigations on the HOMO–LUMO gap and global reactivity descriptor studies, natural bond orbital, and nucleus-independent chemical shifts analyses of 3-phenylbenzo[d]thiazole-2(3H)-imine and its para-substituted derivatives: Solvent and ...
Electrophilicity Index | Chemical Reviews
Computation of electron affinity, ionization energy, chemical... | Download Scientific Diagram
MOLECULAR STRUCTURE, VIBRATIONAL SPECTRA, NBO, FUKUI FUNCTION, HOMO-LUMO ANALYSIS AND MOLECULAR DOCKING STUDY OF 6-[(2-METHYLPHENYL) SULFANYL]-5-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE. - Document - Gale Academic OneFile
Electron Affinity, Electronegativity, and Electrophilicity of Atoms and Ions | Journal of Chemical & Engineering Data
Electrophilicity index revisited - Pal - 2023 - Journal of Computational Chemistry - Wiley Online Library
Synthesis, Molecular Structure, HOMO-LUMO, Chemical, Spectroscopic (UV-Vis and IR), Thermochemical Study of Ethyl 6-amino-5-cyano-2-methyl-4-(4-nitrophenyl)-4H-pyran-3-carboxylate: A DFT Exploration – Material Science Research India
PDF) Theoretical and experimental investigations of submillimeter CW gyrotrons in IAP RAS | Guido Valerio - Academia.edu
Synthesis, Spectroscopic Characterization, Computational Exploration of 6-(2-(2, 4-Dinitrophenylhydrazano)-Tetrahydro-2-Thioxopyrimidin-4(1h)-one : Oriental Journal of Chemistry
Electrophilicity Index | Chemical Reviews
Study of the Ionization Potential, Electron Affinity and HOMO-LUMO Gaps in the Smal Fullerene Nanostructures
Electrophilicity index revisited - Pal - 2023 - Journal of Computational Chemistry - Wiley Online Library
On the alleged importance of the molecular electron-donating ability and the HOMO–LUMO gap in corrosion inhibition studies - ScienceDirect
LUMO (Molecular Orbital) - an overview | ScienceDirect Topics
Electrophilicity index as a possible descriptor of biological activity - ScienceDirect
Electrophilicity index revisited - Pal - 2023 - Journal of Computational Chemistry - Wiley Online Library
