Quantum chemical studies of molecular structure, vibrational spectra and nonlinear optical properties of p-iodoaniline and p-bromoaniline

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.128939 ◽

2020 ◽

Vol 1222 ◽

pp. 128939

Author(s):

Nimmy L. John ◽

Sunila Abraham ◽

D. Sajan ◽

B.K. Sarojini ◽

B. Narayana

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Vibrational Spectra ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2017.04.047 ◽

2017 ◽

Vol 183 ◽

pp. 284-290 ◽

Author(s):

M.A.M. El-Mansy

Keyword(s):

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Chemical Reactivity ◽

Indigo Carmine ◽

Nonlinear Optical Properties ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Indigo Carmine Dye

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Quantum chemical studies of Lindqvist-type polyoxometalates containing late 3d transition metals ([(py)MIIW5O18]4− (M = Fe, Co, Ni)): MII–N bonding and second-order nonlinear optical properties

Theoretical Chemistry Accounts ◽

10.1007/s00214-011-1059-9 ◽

2011 ◽

Vol 130 (4-6) ◽

pp. 1043-1053 ◽

Author(s):

Sha Cong ◽

Li Kai Yan ◽

Shi Zheng Wen ◽

Wei Guan ◽

Zhong Min Su

Keyword(s):

Optical Properties ◽

Transition Metals ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Second Order ◽

Nonlinear Optical Properties ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum chemical studies on synthesis, characterization and third order nonlinear optical properties of (E)-2-(benzo[d][1,3]dioxol-5-ylmethylene)hydrazinecarboxamide single crystal

Journal of Materials Science Materials in Electronics ◽

10.1007/s10854-019-01541-4 ◽

2019 ◽

Vol 30 (13) ◽

pp. 11931-11944

Author(s):

M. Uthaya Kumar ◽

A. Pricilla Jeyakumari ◽

G. Anbalagan ◽

Vandana Shinde ◽

S. Sriram

Keyword(s):

Optical Properties ◽

Single Crystal ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Third Order ◽

Chemical Studies ◽

Quantum Chemical Studies

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Quantum chemical investigation on molecular structure, vibrational, photophysical and nonlinear optical properties of l-threoninium picrate: an admirable contender for nonlinear applications

Journal of Computational Electronics ◽

10.1007/s10825-018-1230-9 ◽

2018 ◽

Vol 17 (4) ◽

pp. 1421-1433 ◽

Author(s):

S. AlFaify ◽

Mohd. Shkir ◽

M. Arora ◽

Ahmad Irfan ◽

H. Algarni ◽

...

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Quantum Chemical ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Chemical Investigation ◽

Quantum Chemical Investigation

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Molecular structure, vibrational spectra and nonlinear optical properties of l-Valine Hydrobromide: DFT study

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.10.012 ◽

2011 ◽

Vol 985 (1) ◽

pp. 48-56 ◽

Author(s):

M. Amalanathan ◽

I. Hubert Joe ◽

V.K. Rastogi

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Vibrational Spectra ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

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Scaled Quantum Chemical Studies of the Molecular Structure and Vibrational Spectra of Minoxidil

Spectroscopy Letters ◽

10.1080/00387010.2014.880066 ◽

2014 ◽

Vol 48 (1) ◽

pp. 63-73 ◽

Author(s):

Sambantham Muthu ◽

Arunachalam Prabakaran

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Quantum Chemical ◽

Chemical Studies ◽

Quantum Chemical Studies

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Theoretical investigation of the molecular structure, vibrational spectra, thermodynamic and nonlinear optical properties of 4, 5-dibromo-2, 7dinitro- fluorescein

Optical and Quantum Electronics ◽

10.1007/s11082-020-02396-4 ◽

2020 ◽

Vol 52 (6) ◽

Author(s):

J. B. Fankam ◽

Geh Wilson Ejuh ◽

F. Tchangnwa Nya ◽

J. M. B. Ndjaka

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Theoretical Investigation ◽

Vibrational Spectra ◽

Nonlinear Optical ◽

Nonlinear Optical Properties

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Molecular structure, vibrational spectra and nonlinear optical properties of orthoarsenic acid–tris-(hydroxymethyl)-aminomethane DFT study

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.12.073 ◽

2010 ◽

Vol 75 (4) ◽

pp. 1315-1320 ◽

Author(s):

A. Ben Ahmed ◽

H. Feki ◽

Y. Abid ◽

C. Minot

Keyword(s):

Molecular Structure ◽

Optical Properties ◽

Vibrational Spectra ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

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Molecular structure, vibrational spectra and nonlinear optical properties of 2,5-dimethylanilinium chloride monohydrate: A density functional theory approach

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.02.028 ◽

2014 ◽

Vol 127 ◽

pp. 275-285 ◽

Author(s):

Sameh Guidara ◽

Ali Ben Ahmed ◽

Younes Abid ◽

Habib Feki

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Optical Properties ◽

Vibrational Spectra ◽

Density Functional ◽

Nonlinear Optical ◽

Nonlinear Optical Properties ◽

Theory Approach ◽

Functional Theory ◽

Chloride Monohydrate

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Quantum chemical studies on molecular structure, AIM, ELF, RDG and antiviral activities of hybrid hydroxychloroquine in the treatment of COVID-19: molecular docking and DFT calculations

Journal of King Saud University - Science ◽

10.1016/j.jksus.2020.101334 ◽

2021 ◽

pp. 101334

Author(s):

Olfa Noureddine ◽

Noureddine Issaoui ◽

Mouna Medimagh ◽

Omar Al-Dossary ◽

Houda Marouani

Keyword(s):

Molecular Structure ◽

Molecular Docking ◽

Dft Calculations ◽

Quantum Chemical ◽

Chemical Studies ◽

Antiviral Activities ◽

Quantum Chemical Studies

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