Quantum-chemical modeling, spectroscopic (FT-IR, excited states, UV/Vis, polarization, and Dichroism) studies of two new benzo[d]oxazole derivatives (original ) (raw )Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations of 2-(p-nitrobenzyl) benzoxazole
serap yılmaz
Journal of Molecular Structure
View PDFchevron_right
The structure and spectroscopy of H-bonded benzoxazole derivatives
Janusz Lipkowski
Journal of Molecular Structure, 1990
View PDFchevron_right
Vibrational spectroscopic (FT-IR, FT-Raman,< sup> 1 H-NMR and UV) investigations and computational study of 5-nitro-2-(4-nitrobenzyl) benzoxazole
Kayhan Bolelli
… Acta Part A: Molecular …, 2013
View PDFchevron_right
Structure, vibrational analysis, electronic properties and chemical reactivity of two benzoxazole derivatives: Functional density theory study
Afaf Bouchoucha
Journal of Molecular Structure, 2016
View PDFchevron_right
Electronic Structure and Physical-Chemistry Property Relationship for Oxazole Derivatives by Ab Initio and DFT Methods
Salah Belaidi
Organic Chemistry International, 2011
View PDFchevron_right
Spectral characteristics of three different isomeric 2-(aminophenyl)benzoxazoles: Effect of solvents and acid concentrations
Joy Dey
Chemical Physics, 1990
View PDFchevron_right
Two-photon absorption in oxazole derivatives: An experimental and quantum chemical study
Leonardo Boni
Optical Materials, 2012
View PDFchevron_right
TDDFT Calculations of Electronic Spectra of Benzoxazoles Undergoing Excited State Proton Transfer
Yevgen Syetov
Journal of Fluorescence, 2013
View PDFchevron_right
Quantum chemical studies on structural, spectroscopic, nonlinear optical, and thermodynamic properties of the 1,2,4-triazole compound
hilal medetalibeyoğlu
Heterocyclic Communications
View PDFchevron_right
Infrared spectra of benzoxazoles exhibiting excited state proton transfer
Yevgen Syetov
Vibrational Spectroscopy, 2010
View PDFchevron_right
Experimental and theoretical assignment of the vibrational spectra of triazoles and benzotriazoles. Identification of IR marker bands and electric response properties
Rifaat Hilal
Journal of Molecular Modeling, 2014
View PDFchevron_right
Vibrational spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations and computational study of 5-nitro-2-(4-nitrobenzyl) benzoxazole
İlkay Yıldız
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013
View PDFchevron_right
A QUANTUM CHEMICAL INVESTIGATION OF N 1 -SUBSTITUTED 1,2,4-TRIAZOLE
Mirjana S. Jankulovska
RAD Proceedings, 2018
View PDFchevron_right
Semi-empirical study of a set of 2-(2′-hydroxyphenyl)benzazoles using the polarizable continuum model
Rodrigo Iglesias
Chemical Physics Letters, 2000
View PDFchevron_right
Electronic Structure and Effect of Methyl Substitution in Oxazole and Thiazole by Quantum Chemical Calculations
Radhia Mazri
Research Journal of Pharmaceutical, Biological and Chemical Sciences
View PDFchevron_right
Synthesis and photophysical studies on 2‑styryl phenanthro[9,10‑d]oxazole derivatives
Akella Sivaramakrishna
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2019
View PDFchevron_right
Spectral and quantum mechanical study of some azo-derivatives
Cezarina Morosanu
Journal of Molecular Liquids, 2018
View PDFchevron_right
Solvatochromism and prototropism of 2-(3′-hydroxyphenyl)benzoxazole and 2-(4′-hydroxyphenyl)benzoxazole in the excited singlet state
Joy Dey
Journal of Photochemistry and Photobiology A: Chemistry, 1991
View PDFchevron_right
A DFT/TD DFT study of the structure and spectroscopic properties of 5-methyl-2-(8-quinolinyl)benzoxazole and its complexes with Zn(II) ion
Wiesław Wiczk
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010
View PDFchevron_right
A theoretical study of the parent NH-benzazoles (benzimidazoles, indazoles and benzotriazoles): geometries, energies, acidity and basicity, NMR properties and molecular electrostatic potentials
Cristina Colorado Trujillo
Arkivoc, 2012
View PDFchevron_right
Theoretical and vibrational studies of 4,5-diphenyl-2-2 oxazole propionic acid (oxaprozin)
Aslı Kızılay Eşme
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2010
View PDFchevron_right
Structure of Biologically Active Benzoxazoles: Crystallography and DFT Studies
elma veljovic
Acta Chimica Slovenica, 2021
View PDFchevron_right
Influence of an aromatic substituent in position 2 on photophysical properties of benzoxazol-5-yl-alanine derivatives
Wiesław Wiczk
Chemical Physics, 2003
View PDFchevron_right
Theoretical investigation on structural, electronic and the nonlinear optical properties of 2- and 4-substituted benzohydrazides
Hacali Necefoglu
Nucleation and Atmospheric Aerosols, 2018
View PDFchevron_right