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Experimental and theoretical investigation of third-order nonlinear optical properties of azo dye 1-(2, 5-Dimethoxy-phenylazo)-naphthalen-2-ol by Z-scan technique and quantum chemical computations

Dyes and pigments, 2018-10, Vol.157, p.163-178

2018

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FT-IR and FT-Raman spectra of 5-chlorocytosine: Solid state simulation and tautomerism. Effect of the chlorine substitution in the Watson-Crick base pair 5-chlorodeoxycytidine-deoxyguanosine

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018-01, Vol.188, p.418-435

2018

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Effect of the microhydration on the tautomerism in the anticarcinogenic drug 5-fluorouracil and relationships with other 5-haloderivatives

Journal of molecular structure, 2013-12, Vol.1054-1055, p.32-45

2013

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Density functional theory studies on molecular structure and vibrational spectra of NLO crystal l-phenylalanine phenylalanium nitrate for THz application

Journal of molecular structure, 2011-12, Vol.1006 (1), p.513-526

2011

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

Journal of molecular structure, 2011-01, Vol.985 (1), p.48-56

2011

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Spectral investigations, DFT computations and molecular docking studies of the antimicrobial 5-nitroisatin dimer

Chemical physics letters, 2015-03, Vol.624, p.93-101

2015

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Self-focusing behaviour of dichlorobis(sarcosinato)zinc(II) complex investigated by DFT computations, fluorescence, laser damaged threshold and Z-scan technique

Chemical physics letters, 2020-09, Vol.754, p.137648, Article 137648

2020

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Effect of solvents on the nonlinear optical behavior and spectral findings of bis [4-(dimethylamino) phenyl] methaniminium chloride

Chemical physics letters, 2020-01, Vol.738, p.136833, Article 136833

2020

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Third-order optical nonlinearities of 1,5-Diaminoanthraquinone for optical limiting application

Optics and laser technology, 2018-12, Vol.108, p.218-234

2018

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Reverse saturable absorption behavior of Disodium 8-Hydroxy-5,7-Dinitro-2-Naphthalenesulfonate Hydrate for nonlinear optical applications

Journal of molecular structure, 2019-03, Vol.1180, p.363-377

2019

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Synthesis, Hirshfeld surface analysis, laser damage threshold, third-order nonlinear optical property and DFT computation studies of Dichlorobis(DL-valine)zinc(II): A spectroscopic approach

Optical materials, 2018-01, Vol.75, p.285-296

2018

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Inactivation of Bacillus anthracis and Bacillus atrophaeus spores on different surfaces with ultraviolet light produced with a low‐pressure mercury vapor lamp or light emitting diodes

Journal of applied microbiology, 2021-11, Vol.131 (5), p.2257-2269

2021

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Biological and spectral studies of O-Tolyl Biguanide: Experimental and theoretical approach

Journal of molecular structure, 2017-01, Vol.1128, p.290-299

2017

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Base pairs with 4-amino-3-nitrobenzonitrile: comparison with the natural WC pairs. Dimer and tetramer forms, Infrared and Raman spectra, and several proposed antiviral modified nucleosides

Journal of biomolecular structure & dynamics, 2023-07, Vol.41 (10), p.4444-4466

2023

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Biological applications and spectroscopic investigations of 4-nitrophenol-urea dimer: A DFT approach

Chemical physics letters, 2016-02, Vol.645, p.59-70

2016

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Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014, Vol.121, p.464-482

2014

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Z-scan measurements of the third-order optical nonlinearities and vibrational spectral studies by DFT computations on azo dye 1-(2-Methylphenylazo)-2-napthol

Optics and laser technology, 2017-12, Vol.97, p.390-399

2017

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Vibrational spectra, tautomerism and thermodynamics of anticarcinogenic drug: 5-Fluorouracil

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2011-09, Vol.79 (5), p.970-977

2011

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6-Aminouracil: Geometries and spectra in the isolated state and in the solid state simulation. A comparison with 5-aminouracil

Journal of molecular structure, 2016-03, Vol.1108, p.482-495

2016

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Theoretical investigations on the molecular structure, vibrational spectra, thermodynamics, HOMO–LUMO, NBO analyses and paramagnetic susceptibility properties of p-(p-hydroxyphenoxy)benzoic acid

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014, Vol.121, p.575-585

2014

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Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitrobenzoic acid)

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2011-05, Vol.78 (5), p.1437-1444

2011

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FT-IR and FT-Raman spectra, MEP and HOMO–LUMO of 2,5-dichlorobenzonitrile: DFT study

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.136, p.464-472

2015

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Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-03, Vol.138, p.723-735

2015

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A DFT analysis of the molecular structure, vibrational spectra and other molecular properties of 5-nitrouracil and comparison with uracil

Journal of molecular structure, 2016-02, Vol.1106, p.300-315

2016

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FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of biomolecule 5-aminouracil

Chemical physics, 2007-11, Vol.340 (1), p.17-31

2007

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Experimental and theoretical investigation of third-order nonlinear optical properties of azo dye 1-(2, 5-Dimethoxy-phenylazo)-naphthalen-2-ol by Z-scan technique and quantum chemical computations

FT-IR and FT-Raman spectra of 5-chlorocytosine: Solid state simulation and tautomerism. Effect of the chlorine substitution in the Watson-Crick base pair 5-chlorodeoxycytidine-deoxyguanosine

Effect of the microhydration on the tautomerism in the anticarcinogenic drug 5-fluorouracil and relationships with other 5-haloderivatives

Density functional theory studies on molecular structure and vibrational spectra of NLO crystal l-phenylalanine phenylalanium nitrate for THz application

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

Spectral investigations, DFT computations and molecular docking studies of the antimicrobial 5-nitroisatin dimer

Self-focusing behaviour of dichlorobis(sarcosinato)zinc(II) complex investigated by DFT computations, fluorescence, laser damaged threshold and Z-scan technique

Effect of solvents on the nonlinear optical behavior and spectral findings of bis [4-(dimethylamino) phenyl] methaniminium chloride

Third-order optical nonlinearities of 1,5-Diaminoanthraquinone for optical limiting application

Reverse saturable absorption behavior of Disodium 8-Hydroxy-5,7-Dinitro-2-Naphthalenesulfonate Hydrate for nonlinear optical applications

Synthesis, Hirshfeld surface analysis, laser damage threshold, third-order nonlinear optical property and DFT computation studies of Dichlorobis(DL-valine)zinc(II): A spectroscopic approach

Inactivation of Bacillus anthracis and Bacillus atrophaeus spores on different surfaces with ultraviolet light produced with a low‐pressure mercury vapor lamp or light emitting diodes

Biological and spectral studies of O-Tolyl Biguanide: Experimental and theoretical approach

Base pairs with 4-amino-3-nitrobenzonitrile: comparison with the natural WC pairs. Dimer and tetramer forms, Infrared and Raman spectra, and several proposed antiviral modified nucleosides

Biological applications and spectroscopic investigations of 4-nitrophenol-urea dimer: A DFT approach

Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile

Z-scan measurements of the third-order optical nonlinearities and vibrational spectral studies by DFT computations on azo dye 1-(2-Methylphenylazo)-2-napthol

Vibrational spectra, tautomerism and thermodynamics of anticarcinogenic drug: 5-Fluorouracil

6-Aminouracil: Geometries and spectra in the isolated state and in the solid state simulation. A comparison with 5-aminouracil

Theoretical investigations on the molecular structure, vibrational spectra, thermodynamics, HOMO–LUMO, NBO analyses and paramagnetic susceptibility properties of p-(p-hydroxyphenoxy)benzoic acid

Density functional theory calculations and vibrational spectral analysis of 3,5-(dinitrobenzoic acid)

FT-IR and FT-Raman spectra, MEP and HOMO–LUMO of 2,5-dichlorobenzonitrile: DFT study

Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid

A DFT analysis of the molecular structure, vibrational spectra and other molecular properties of 5-nitrouracil and comparison with uracil

FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of biomolecule 5-aminouracil

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