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DFT studies of disubstituted diphenyldithiophosphates of nickel(II): Structural and some spectral parameters
Elsevier | 2019|Keywords: HOMO-LUMO -
Clarifying the Adsorption of Triphenylamine on Au(111): Filling the HOMO–LUMO Gap
Free accessBASE | 2022|Keywords: HOMO-LUMO gap -
Synthesis, spectral, theoretical calculations and optical properties performance of substituted-azobenzene dyes
Online Contents | 2016|Keywords: HOMO LUMO -
Spectroscopic analysis, NBO, HOMO and LUMO analysis of anticancer compound Silibinin: experimental and theoretical approach
Taylor & Francis Verlag | 2023|Keywords: homo lumo -
Structural and electronic properties of stable Lin (n=2–10) clusters: A density functional study
Elsevier | 2013|Keywords: HOMO–LUMO -
Synthesis and characterization of starch sulfates obtained by the sulfamic acid-urea complex
Elsevier | 2020|Keywords: HOMO-LUMO -
New highly luminescent 3D Tb(III)-MOF as selective sensor for antibiotics
Elsevier | 2021|Keywords: HOMO-LUMO -
First-principles DFT study of SO2 and SO3 adsorption on 2PANI: a model for polyaniline response
Taylor & Francis Verlag | 2016|Keywords: HOMO–LUMO -
Investigations on spectroscopic, dielectric and optical studies in 3-hydroxypyridinium 4-nitrobenzoate crystals
Elsevier | 2017|Keywords: HOMO-LUMO -
Analysis of newly synthesized disulfides of aryldithiocarbonates and vanadium(V) and niobium(V) complexes of aryldithiocarbonates based on spectroscopic, thermogravimetric, SEM and DFT studies
Taylor & Francis Verlag | 2020|Keywords: HOMO–LUMO -
Synthesis, spectroscopic (FT-IR, FT-Raman, UV and NMR) and computational studies on 3t-pentyl-2r,6c-diphenylpiperidin-4-one semicarbazone
Elsevier | 2015|Keywords: HOMO–LUMO -
Computational Investigation on Structural and Reactive Sites (HOMO-LUMO, MEP, NBO, NPA, ELF, LOL, RDG) Identification, Pharmacokinetic (ADME) Properties and Molecular Docking Investigation of (E)-4-((4-chlorobenzylidene) amino) Benzene Sulfonamide Compound
Taylor & Francis Verlag | 2022|Keywords: HOMO-LUMO
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