original ) (raw )Golden rule study of excited-state proton transfer in 2-(2-hydroxyphenyl)benzoxazole and 2-(2-hydroxy-4-methylphenyl)benzoxazole
Venelin Enchev
The Journal of Physical Chemistry, 1993
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Theoretical Modelling for the Ground State Rotamerisation and Excited State Intramolecular Proton Transfer of 2-(2’-hydroxyphenyl)oxazole, 2-(2’-hydroxyphenyl)imidazole, 2-(2’-hydroxyphenyl)thiazole and Their Benzo Analogues
Pradipta Purkayastha
International Journal of Molecular Sciences, 2003
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Two-photon absorption in oxazole derivatives: An experimental and quantum chemical study
Leonardo Boni
Optical Materials, 2012
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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
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Excited state intramolecular proton transfer in amino 2-(2'-hydroxyphenyl) benzazole derivatives: Effects of the solvent and the amino group position
Jimena S. Zugazagoitia
Journal of luminescence, 2007
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Quantum-chemical modeling, spectroscopic (FT-IR, excited states, UV/Vis, polarization, and Dichroism) studies of two new benzo[d]oxazole derivatives
Masoome Sheikhi
Journal of Molecular Structure, 2020
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Rotamerisation and intramolecular proton transfer of 2-(2′-hydroxyphenyl)oxazole, 2-(2′-hydroxyphenyl)imidazole and 2-(2′-hydroxyphenyl)thiazole: a theoretical study
Pradipta Purkayastha
Journal of Molecular Structure, 2002
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TDDFT Calculations of Electronic Spectra of Benzoxazoles Undergoing Excited State Proton Transfer
Yevgen Syetov
Journal of Fluorescence, 2013
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Electronic Structure and Physical-Chemistry Property Relationship for Oxazole Derivatives by Ab Initio and DFT Methods
Salah Belaidi
Organic Chemistry International, 2011
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Spectral and electrooptical absorption and emission studies on internally hydrogen bonded benzoxazole `double' derivatives: 2,5-bis(benzoxazolyl)hydroquinone (BBHQ) and 3,6-bis(benzoxazolyl)pyrocatechol (BBPC). Single versus double proton transfer in the excited BBPC revisited
Heribert Reis
Chemical Physics, 1999
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A QUANTUM CHEMICAL INVESTIGATION OF N 1 -SUBSTITUTED 1,2,4-TRIAZOLE
Mirjana S. Jankulovska
RAD Proceedings, 2018
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Semi-empirical study of a set of 2-(2′-hydroxyphenyl)benzazoles using the polarizable continuum model
Rodrigo Iglesias
Chemical Physics Letters, 2000
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Intramolecular Proton or Hydrogen-Atom Transfer in the Ground and Excited States of 2-Hydroxybenzoyl Compounds
Javier Catalán
The Journal of Physical Chemistry A, 1997
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Infrared spectra of benzoxazoles exhibiting excited state proton transfer
Yevgen Syetov
Vibrational Spectroscopy, 2010
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Intramolecular proton transfer in 2-(2'-hydroxyphenyl)benzoxazole: The reliability of ab initio calculations on simplified structures
Antonio Fernández-ramos
1999
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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
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Effect of substituents and protonation on photolysis of the 2,5-diphenyl-oxazole molecule
Vladimir Pomogaev
Russian Physics Journal, 1997
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Core spectroscopy of oxazole
Krupa Ramasesha
The Journal of Chemical Physics
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Luminescence spectrum of 2-(2'-hydroxyphenyl)benzoxazole in the solid state
Yevgen Syetov
Ukrainian Journal of Physical Optics, 2013
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Zero-kinetic-energy photoelectron spectroscopy and excited-state intramolecular proton transfer in a 'double' benzoxazole
U. Even
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Optical nonlinearities and transient dynamics of 2-(2′-hydroxyphenyl)benzoxazole studied by single-beam and time-resolved two-color Z-scan techniques
Xiaoming Shang
Journal of the Optical Society of America B, 1998
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Solvent-Dependent Excited-State Hydrogen Transfer and Intersystem Crossing in 2-(2′-Hydroxyphenyl)-Benzothiazole
Omar Mohammed
The Journal of Physical Chemistry B, 2015
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Dipolar Properties of 2- 2 -Hydroxyphenyl -Benzothiazole and -Benzoxazole: Two Photostabilizers That Undergo Excited-State Proton Transfer
Lavanya Premvardhan
1998
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Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems
paula mello
Molecules
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Comparative theoretical study of intramolecular proton transfer in the photochemical cycles of 2-(2′-hydroxyphenyl)benzoxazole and 5,8-dimethyl-1-tetralone
Venelin Enchev
Journal of Photochemistry and Photobiology A: Chemistry, 1994
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The structure and spectroscopy of H-bonded benzoxazole derivatives
Janusz Lipkowski
Journal of Molecular Structure, 1990
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Heterocyclic dyes displaying excited-state intramolecular proton- transfer reactions (ESIPT): computational study of the substitution effect on the electronic absorption spectra of 2-(2Ј-hydroxyphenyl)-1,3-benzoxazole derivatives
Maximiliano Segala
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Blue-Emitting 2-(2′-Hydroxyphenyl)benzazole Fluorophores by Modulation of Excited-State Intramolecular Proton Transfer: Spectroscopic Studies and Theoretical Calculations
Erika Colombain
Journal of Physical Chemistry B, 2022
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Heterocyclic dyes displaying excited-state intramolecular proton-transfer reactions (ESIPT): computational study of the substitution effect on the electronic absorption spectra of 2-(2′-hydroxyphenyl)-1,3-benzoxazole derivatives
Maximiliano Segala
Journal of The Chemical Society-perkin Transactions 2, 1999
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The effect of hydrogen bonding on the excited-state proton transfer in 2-(2′-hydroxyphenyl) benzothiazole: a TDDFT molecular dynamics study
Mario Barbatti
2012
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Quantum mechanical and spectroscopic (FT-IR, FT-Raman, 1H NMR and UV) investigations of 2-(p-nitrobenzyl) benzoxazole
serap yılmaz
Journal of Molecular Structure
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Heterocyclic dyes displaying excited-state intramolecular proton- transfer reactions (ESIPT): computational study of the substitution eVect on the electronic absorption spectra of 2-(29-hydroxyphenyl)-1,3-benzoxazole derivatives
Maximiliano Segala
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The ground and excited state hydrogen transfer potential energy surface in 7-azaindole
Galina Chaban
The Journal of Physical Chemistry A, 1999
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Excited-state intramolecular proton transfer reaction modulated by low-frequency vibrations: An effect of an electron-donating substituent on the dually fluorescent bis-benzoxazole
Somes K. Das
Chemical Physics, 2011
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Deactivating effect of the pyridine n,p* states on the photoreactivity of 5-[2-(pyrid-n-yl)ethenyl]oxazole (n = 2, 3 and 4
Ivana Šagud
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