Effect of protonation on the molecular structure and reactivity of a typical merocyanine dye: experimental and theoretical investigation

Shakir T. Abdel-Halim; Mohamed K. Awad

doi:10.1021/j100115a017

Effect of protonation on the molecular structure and reactivity of a typical merocyanine dye: experimental and theoretical investigation

The Journal of Physical Chemistry ◽

10.1021/j100115a017 ◽

1993 ◽

Vol 97 (13) ◽

pp. 3160-3165 ◽

Cited By ~ 23

Author(s):

Shakir T. Abdel-Halim ◽

Mohamed K. Awad

Keyword(s):

Molecular Structure ◽

Theoretical Investigation

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Theoretical investigation of polymer molecular structure influence on dielectric properties and mechanical properties

Polymers for Advanced Technologies ◽

10.1002/pat.5499 ◽

2021 ◽

Author(s):

Yuying Cao ◽

Weihua Cao ◽

Xiao Yang ◽

Changxin Liu ◽

Xiaowen Qi

Keyword(s):

Molecular Structure ◽

Mechanical Properties ◽

Dielectric Properties ◽

Theoretical Investigation

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Theoretical Investigation of the Molecular Structure, Vibrational Spectra, NMR, UV, NBO Analysis, Homo and Lumo Analysis of 2-(1-Piperazinyl) Ethanol

Journal of Theoretical and Computational Science ◽

10.4172/2376-130x.1000127 ◽

2015 ◽

Vol 02 (03) ◽

Author(s):

Mekala R Mathammal R

Keyword(s):

Molecular Structure ◽

Theoretical Investigation ◽

Vibrational Spectra ◽

Nbo Analysis ◽

Homo And Lumo

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VIBRATIONAL SPECTRAL ANALYSIS and THEORETICAL INVESTIGATION ON THE MOLECULAR STRUCTURE OF ACACETIN (5,7-dihydroxy-4'-methoxyflavone)

Sakarya University Journal of Science ◽

10.16984/saufenbilder.67441 ◽

2016 ◽

Vol 20 (3) ◽

Author(s):

Tevfik Raci SERTBAKAN ◽

Ökkeş GÖZDAŞ

Keyword(s):

Molecular Structure ◽

Spectral Analysis ◽

Theoretical Investigation

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Electron-Diffraction and Theoretical Investigation of the Molecular Structure of Octafluorobicyclo[2.2.0]hex-1(4)-ene in the Gas Phase: Another Example of a Molecule with an Unusually Long C(sp3)−C(sp3) Single Bond

The Journal of Physical Chemistry A ◽

10.1021/jp022518q ◽

2003 ◽

Vol 107 (17) ◽

pp. 3064-3068 ◽

Cited By ~ 9

Author(s):

Alan D. Richardson ◽

Kenneth Hedberg ◽

Christopher P. Junk ◽

David M. Lemal

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Theoretical Investigation ◽

Single Bond

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Theoretical investigation of 5-(2-Acetoxyethyl)-6-methylpyrimidin-2,4-dione: Conformational study, NBO and NLO analysis, molecular structure and NMR spectra

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.04.063 ◽

2013 ◽

Vol 112 ◽

pp. 331-342 ◽

Cited By ~ 48

Author(s):

Hacer Pir ◽

Nergin Günay ◽

Ömer Tamer ◽

Davut Avcı ◽

Yusuf Atalay

Keyword(s):

Molecular Structure ◽

Theoretical Investigation ◽

Nmr Spectra ◽

Conformational Study

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ChemInform Abstract: Experimental and Theoretical Investigation of the Molecular Structure of Cyclopropylgermane

ChemInform ◽

10.1002/chin.199151254 ◽

2010 ◽

Vol 22 (51) ◽

pp. no-no

Author(s):

M. DAKKOURI

Keyword(s):

Molecular Structure ◽

Theoretical Investigation

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Synthesis, Molecular Structure and Theoretical Investigation of Optical and Electronic Properties of New Crystalline Polymer: [(C6H5NH3)2Cd(SCN)2Cl2]n

Journal of Inorganic and Organometallic Polymers and Materials ◽

10.1007/s10904-019-01321-x ◽

2019 ◽

Vol 30 (3) ◽

pp. 649-657

Author(s):

Rahma Jabbar ◽

Slaheddine Kamoun

Keyword(s):

Molecular Structure ◽

Electronic Properties ◽

Theoretical Investigation ◽

Crystalline Polymer ◽

Optical And Electronic Properties

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Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X=Cl, Br or F)

Journal of Molecular Structure ◽

10.1016/j.molstruc.2008.08.007 ◽

2009 ◽

Vol 919 (1-3) ◽

pp. 26-33 ◽

Cited By ~ 43

Author(s):

Mehmet Karabacak ◽

Mehmet Çınar ◽

Ali Çoruh ◽

Mustafa Kurt

Keyword(s):

Molecular Structure ◽

Theoretical Investigation ◽

Nmr Spectra

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Synthesis, molecular structure, spectroscopic and theoretical investigation of 5-chlorosalicylaldehyde-2,4-dinitrophenylhydrazone

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.127589 ◽

2020 ◽

Vol 1205 ◽

pp. 127589 ◽

Cited By ~ 2

Author(s):

Diego M. Gil

Keyword(s):

Molecular Structure ◽

Theoretical Investigation

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ChemInform Abstract: Theoretical Investigation of the Molecular Structure of Manganese Dichloride

Chemischer Informationsdienst ◽

10.1002/chin.198616001 ◽

1986 ◽

Vol 17 (16) ◽

Author(s):

M. HARGITTAI ◽

A. R. ROSSI

Keyword(s):

Molecular Structure ◽

Theoretical Investigation

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