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RESEARCH PAPER · Advances in Condensed Matter Physics · 2019

Prediction of the Linear and Nonlinear Optical Properties of a Schiff Base Derivatives via DFT

Clodoaldo Valverde, Ítalo N. Ribeiro, João Victor Batista Soares, B. Baseia, Francisco A. P. Osório

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42 direct citing works

Prediction of the Linear and Nonlinear Optical Properties of a Schiff Base Derivatives via DFTOriginalGrowth and characterization of a new chlorine substituted chalcone: A third order nonlinear optical material18An analysis of structural, spectroscopic signatures, reactivity and anti-bacterial study of synthetized 4-chloro-3-sulfamoylbenzoic acid13Theoretical study of solvent effects on the hyperpolarizabilities of two chalcone derivatives8Untitled work0Tautomeric influence on the photoinduced birefringence of 4-substituted phthalimide 2-hydroxy Schiff bases in PMMA matrix9PCM-DFT Investigation on the Linear and Nonlinear Optical Properties of Two Triazole Derivatives in Different Solvents0Remarkable Nonlinear Properties of a Novel Quinolidone Derivative: Joint Synthesis and Molecular Modeling5Polyethene Glycol (PEG-400): An Efficient and Eco-friendly Catalyst For The Preparation of N-benzylideneaniline by Schiff base Reaction4Synthesis, structural properties and nonlinear optical response of some aromatic thioamides in bulk vs. laser-processed films0In silico screening of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate and some of its derivatives for their NLO activities using DFT12A DFT study of structural-stability, Mulliken charges, MEP, FMO, and NLO properties of trans alkenyl substituted chalcones conformers: theoretical study54The Electronic Structure, Stability, Thermodynamics And Vibrational Study of Cis Alkenyl Substituted Chalcones by Density Functional Theory Calculations1Unveiling the therapeutic potential of BAP from crystallographic analysis to protein docking and anticancer assessment in MCF-7 human breast cancer cells4Synthesis, characterization and solvent effects on the electronic properties and non-linear optical activity of acridine-1,8-diones-proline based fluorescent probe for visual recognition and selective detection of OH− ion9Study of the theoretical and experimental paths for condensation between a triamine and 2-hydroxybenzaldehyde in the presence of the Ni(II) ion, supported by spectral, structural, DFT and docking studies1Synthesis, spectroscopic characterization, and DFT-based solvation studies of static and dynamic Nonlinear Optical activity and Light Harvesting Efficiency of 5-nitro-3-phenyl-7-azaindole5Exploring the NLO Properties of Brominated Dimethoxybenzaldehydes: From Synthesis to Molecular Modeling1Exploration of DFT-based static and dynamic nonlinear optical activity of an acridine-1,8-dione derivative3Environmentally Benign Synthesis, Characterization, and Computational Studies of a Bidentate, Potentially Nonlinearly Optical Schiff Base and Its Transition Metal Complexes1Study of the computational insights and the nonlinear optical properties of scandium (sc) and titanium (Ti) doped benzocryptand by the DFT approach0Theoretical Study of Electrostatic Embedding and Properties of a Novel Quinolinone‐Chalcone Crystal and a Comparative Analysis with Dihydroquinolinone Analogs0Raman quantification of (R)-(+)-limonene in mineral oil: An integrated PCA/PLS and DFT–PED approach0Experimental and DFT investigation of the structure-property relationship and third-order nonlinear optical response of a halogenated pyridine-based Cd(II) complex0

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  1. Growth and characterization of a new chlorine substituted chalcone: A third order nonlinear optical material

    Journal of Molecular Structure · 2019-09-26

    Ítalo N. Ribeiro, Renata Layse G. de Paula, Patricia R. S. Wenceslau, Fernanda S. Fernandes, Vitor Santos Duarte, Wesley F. Vaz, Guilherme Roberto de Oliveira, Clodoaldo Valverde, Hamilton Barbosa Napolitano, B. Baseia

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  2. An analysis of structural, spectroscopic signatures, reactivity and anti-bacterial study of synthetized 4-chloro-3-sulfamoylbenzoic acid

    Journal of Molecular Structure · 2019-10-15

    Ch. Kavitha, K. Narendra, A. Ratnakar, Poojith Nuthalapati, Sampath Chinnam, Subrata Banik, P.A. Suchetan, Krishna Murthy Potla, Venkatasubba Naidu Nuthalapati

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  3. Theoretical study of solvent effects on the hyperpolarizabilities of two chalcone derivatives

    Revista Colombiana de Química · 2020-01-01

    Clodoaldo Valverde, João Victor Batista Soares, André Duarte da Silva, Bruno Luz, Daniel Junior Almeida dos Santos, Elisa Guimarães Barbosa Carvalho, Yara Cecília Monteiro Oliveira, Hamilton Barbosa Napolitano, B. Baseia, Francisco A. P. Osório

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  4. Untitled work

    Universum Chemistry & biology · 2020-10-05

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  5. Tautomeric influence on the photoinduced birefringence of 4-substituted phthalimide 2-hydroxy Schiff bases in PMMA matrix

    Photochemical & Photobiological Sciences · 2021-05-01

    Blaga Blagoeva, Ani Stoilova, Deyan Dimov, Dancho Yordanov, Dimana Nazarova, Anton Georgiev, Liudmil Antonov

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  6. PCM-DFT Investigation on the Linear and Nonlinear Optical Properties of Two Triazole Derivatives in Different Solvents

    Journal of Atomic Molecular Condensed Matter and Nano Physics · 2021-10-31

    Ítalo N. Ribeiro, Fernando C. G. Murga, Marcos Vinícius C. S. Rezende, Andreia R. dos Santos, Juliana G. de Morais, Jeziel Rodrigues dos Santos, Ricardo R. Ternavisk, B. Baseia, Francisco A. P. Osório, Clodoaldo Valverde

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  7. Remarkable Nonlinear Properties of a Novel Quinolidone Derivative: Joint Synthesis and Molecular Modeling

    Molecules · 2022-04-07

    Clodoaldo Valverde, Rafael S. Vinhal, Luiz F. N. Naves, Jean M. F. Custódio, B. Baseia, Heibbe C. B. de Oliveira, Caridad N. Pérez, Hamilton Barbosa Napolitano, Francisco A. P. Osório

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  8. Polyethene Glycol (PEG-400): An Efficient and Eco-friendly Catalyst For The Preparation of N-benzylideneaniline by Schiff base Reaction

    Oriental Journal Of Chemistry · 2022-08-31

    P. Jindal P. Jindal, Pawan Kumar, Upasana Sharma, M.S. Chauhan

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  9. Synthesis, structural properties and nonlinear optical response of some aromatic thioamides in bulk vs. laser-processed films

    Research Square · 2022-12-28

    Maria Marinescu, Adrian Ionut Bercea, Iulian Ionita, Ludmila Otilia Cinteză, Irina Zarafu, Cristian Petcu, Andreea Matei, Catalin Daniel Constantinescu

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  10. In silico screening of ethyl 4-[(E)-(2-hydroxy-4-methoxyphenyl)methyleneamino]benzoate and some of its derivatives for their NLO activities using DFT

    Royal Society Open Science · 2023-01-01

    Dinyuy Emmanuel Kiven, Nyiang Kennet Nkungli, Stanley Numbonui Tasheh, Julius Numbonui Ghogomu

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  11. A DFT study of structural-stability, Mulliken charges, MEP, FMO, and NLO properties of trans alkenyl substituted chalcones conformers: theoretical study

    Structural Chemistry · 2023-03-21

    Haval A. Hussein

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  12. The Electronic Structure, Stability, Thermodynamics And Vibrational Study of Cis Alkenyl Substituted Chalcones by Density Functional Theory Calculations

    The Journal of The University of Duhok · 2023-12-24

    Haval A. Hussein

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  13. Unveiling the therapeutic potential of BAP from crystallographic analysis to protein docking and anticancer assessment in MCF-7 human breast cancer cells

    Results in Chemistry · 2024-01-01

    S. Anila Raj, V. Preethi, V.G. Vidya, V.G. Viju Kumar

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  14. Synthesis, characterization and solvent effects on the electronic properties and non-linear optical activity of acridine-1,8-diones-proline based fluorescent probe for visual recognition and selective detection of OH− ion

    Journal of Molecular Liquids · 2024-04-05

    Sujoy Karmakar, Subhadeep Das, Subir Podder, Hriday Kumar Basak, Soumen Saha, Abhik Chatterjee

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  15. Study of the theoretical and experimental paths for condensation between a triamine and 2-hydroxybenzaldehyde in the presence of the Ni(II) ion, supported by spectral, structural, DFT and docking studies

    Journal of Molecular Structure · 2024-10-19

    Bahareh Madlou, Zahra Mardani, Michal Dušek, Morgane Poupon

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  16. Synthesis, spectroscopic characterization, and DFT-based solvation studies of static and dynamic Nonlinear Optical activity and Light Harvesting Efficiency of 5-nitro-3-phenyl-7-azaindole

    Optical Materials · 2024-11-22

    Sujoy Karmakar, Subir Podder, Subham Dey, Soumen Saha, Abhik Chatterjee

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  17. Exploring the NLO Properties of Brominated Dimethoxybenzaldehydes: From Synthesis to Molecular Modeling

    The Journal of Physical Chemistry A · 2025-08-22

    Clodoaldo Valverde, Igor D. Borges, Marco A. Prazeres, Antônio S. N. Aguiar, Angélica Navarrete, Gerardo Aguirre, Francisco A. P. Osório, Hamilton Barbosa Napolitano

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  18. Exploration of DFT-based static and dynamic nonlinear optical activity of an acridine-1,8-dione derivative

    Journal of the Indian Chemical Society · 2025-09-12

    Subir Podder, Subham Dey, Abhik Chatterjee

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  19. Environmentally Benign Synthesis, Characterization, and Computational Studies of a Bidentate, Potentially Nonlinearly Optical Schiff Base and Its Transition Metal Complexes

    ChemistrySelect · 2025-12-01

    Ekta Kundra Arora, Kriti Kashyap, Vibha Sharma, Yogita Yogita, Afshaan Kathrene Singh, Shobika Kaimwal, Sneha Mary Prince, Lingampalli Likhith, Bhumi Singh, Vansh Kathuria, Payal Sorout

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  20. Study of the computational insights and the nonlinear optical properties of scandium (sc) and titanium (Ti) doped benzocryptand by the DFT approach

    Optics Continuum · 2025-12-15

    Muhammad Ismaeel, Muhammad Hanan, Qasim Ali, Haiqa Javed, Aurangzeb, Ali Raza Ayub, Hafiz Junaid Akbar, Javed Iqbal, Muhammad Shabir Mahr

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  21. Theoretical Study of Electrostatic Embedding and Properties of a Novel Quinolinone‐Chalcone Crystal and a Comparative Analysis with Dihydroquinolinone Analogs

    ChemistryOpen · 2026-02-01

    Clodoaldo Valverde, Nathália M. Pires, Antônio Newton Borges, Daphne C. Fernandes, Vitor Santos Duarte, Giulio D. C. D’Oliveira, Jean M. F. Custódio, Caridad N. Pérez, Francisco A. P. Osório, Hamilton Barbosa Napolitano

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  22. Raman quantification of (R)-(+)-limonene in mineral oil: An integrated PCA/PLS and DFT–PED approach

    Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2026-07-18

    Joaquín Hernández-Fernández, Jhojan Salcedo-Castellar

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  23. Experimental and DFT investigation of the structure-property relationship and third-order nonlinear optical response of a halogenated pyridine-based Cd(II) complex

    Optical and Quantum Electronics · 2026-09-22

    İrem Furuncuoğlu, Merve Şimşek, Ömer Tamer, Davut Avcı, YUSUF ATALAY, Necmi Dege

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