Spectroscopic investigation (IR and NMR) and HOMO-LUMO analysis of aromatic imines using theoretical approach

New Heterocyclic Compound as Carbon Steel Corrosion Inhibitor in 1 M H2SO4, High Efficiency at Low Concentration: Experimental and Theoretical Studies

(2022) Mahmood A. Albo Hay Allah et al.   JOURNAL OF ADHESION SCIENCE AND TECHNOLOGY

Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches

(2022) Necmi Dege et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Utilization of pyrazole-perimidine hybrids bearing different substituents as corrosion inhibitors for 304 stainless steel in acidic media

(2022) Özlem UĞUZ et al.   JOURNAL OF MOLECULAR STRUCTURE

Mono azo dyes derived from 5-nitroanthranilic acid: Synthesis, absorption properties and DFT calculations

(2017) Çiğdem Karabacak Atay et al.   JOURNAL OF MOLECULAR STRUCTURE

Molecular structure, vibrational analysis (IR and Raman) and quantum chemical investigations of 1-aminoisoquinoline

(2017) S. Sivaprakash et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis, characterization, quantum chemical calculations and evaluation of antioxidant properties of 1,3,4-thiadiazole derivatives including 2- and 3-methoxy cinnamic acids

(2017) Mahmut Gür et al.   JOURNAL OF MOLECULAR STRUCTURE

Spectroscopic investigation (FT-IR and FT-Raman), vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-hydroxy-4,5,8-tris(4-methoxyphenyl) anthraquinone

(2015) R. Renjith et al.   JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

NBO, HOMO–LUMO, UV, NLO, NMR and vibrational analysis of veratrole using FT-IR, FT-Raman, FT-NMR spectra and HF–DFT computational methods

(2015) A. Suvitha et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis of imine-pyrazolopyrimidinones and their mechanistic interventions on anticancer activity

(2013) Ashish T. Baviskar et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Study on molecular structure, spectroscopic investigation (IR, Raman and NMR), vibrational assignments and HOMO–LUMO analysis of L-sodium folinate using DFT: A combined experimental and quantum chemical approach

(2013) Linwei Li et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Molecular orbital studies (hardness, chemical potential and electrophilicity), vibrational investigation and theoretical NBO analysis of 4-4′-(1H-1,2,4-triazol-1-yl methylene) dibenzonitrile based on abinitio and DFT methods

(2013) N.R. Sheela et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis of Some Imines and Investigation of their Biological Activity

(2012) Majed M. Hania   E-Journal of Chemistry

A theoretical study of imine-ene reaction influencing factors

(2011) Qiwu Yang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Experimental and theoretical studies on o-, m- and p-chlorobenzylideneaminoantipyrines

(2010) Ran Zhang et al.   SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY

Synthesis and characterization of novel porphyrin Schiff bases

(2008) Lei Wang et al.   JOURNAL OF THE SERBIAN CHEMICAL SOCIETY

Hugo (Ugo) Schiff, Schiff Bases, and a Century of β-Lactam Synthesis

(2007) Thomas T. Tidwell   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION