Papers citing Synthesis and DFT calculations of linear and nonlinear optical responses of novel 2-thioxo-3-N,(4-methylphenyl) thiazolidine-4 one
Theoretical study on functionalized acrylonitrile compounds with a large second-order nonlinear optical response
New Journal of Chemistry · 2020
Lijing Gong, Cheng Ma, Tie-Jun Liu, Jinkai Lv, Xianchao Xun
Read original paper ↗ ·Theoretical insights into the static chemical reactivity and NLO properties of some conjugated carbonyl compounds: case of 5-aminopenta-2,4-dienal derivatives
Monatshefte für Chemie - Chemical Monthly · 2020
Asma Merouane, Asmaa Mostefai, Djebar Hadji, Ali Rahmouni, Mohamed Bouchekara, Amina Ramdani, Safia Taleb
Read original paper ↗ ·DFT computational insights into structural, electronic and spectroscopic parameters of 2-(2-Hydrazineyl)thiazole derivatives: a concise theoretical and experimental approach
Journal of Sulfur Chemistry · 2020
Vishnu A. Adole, Thansing Bhavsing Pawar, Bapu Sonu Jagdale
Read original paper ↗ ·Exploring the effect of oligothiophene and acene cores on the optoelectronic properties and enhancing p- and n-type ability of semiconductor materials
Journal of Sulfur Chemistry · 2020
Ahmad Irfan, Muhammad Imran, Renjith Thomas, Muhammad Asim Raza Basra, Sami Ullah, Abdullah Godran Al-Sehemi, Mohammed Ali Assiri
Read original paper ↗ ·Phosphates branching effect on the structure, linear and NLO properties of linear phosphazenes
Materials Chemistry and Physics · 2021
Djebar Hadji
Read original paper ↗ ·Synthesis, Characterization, Linear and NLO Properties of Novel N-(2,4-Dinitrobenzylidene)-3-Chlorobenzenamine Schiff Base: Combined Experimental and DFT Calculations
Journal of Electronic Materials · 2021
Abdelmadjid Benmohammed, Djebar Hadji, Abdelkrim Guendouzi, Younes Mouchaal, Ayada Djafri, Abdelbasset Khelil
Read original paper ↗ ·Synthesis, characterization and DFT calculations of linear and NLO properties of novel (Z)-5-benzylidene-3-N(4-methylphenyl)-2-thioxothiazolidin-4-one
Journal of Sulfur Chemistry · 2021
Toufik Bensafi, Djebar Hadji, Ahmed Yahiaoui, Kadda Argoub, Aïcha Hachemaoui, Abdelbassat Kenane, Benamar Baroudi, Khaled Toubal, Ayada Djafri, Ali Mustapha Benkouider
Read original paper ↗ ·Synthesis, spectroscopic characterization, crystal structure, Hirshfeld surface analysis, linear and NLO properties of new hybrid compound based on tin fluoride oxalate and organic amine molecule (C12N2H9)2[SnF2(C2O4)2]2H2O
Journal of Molecular Structure · 2021
Rima Gheribi, Djebar Hadji, Rochdi Ghallab, Meriem Medjani, Meriem Benslimane, Chahrazed Trifa, Georges Dénès, Hocine Mérazig
Read original paper ↗ ·Linear and nonlinear optical properties of anhydride derivatives: A theoretical investigation
Chemical Data Collections · 2021
Yahiaoui Bekki, Djebar Hadji, Abdelkrim Guendouzi, Houari Brahim, Mohammed Elkeurti
Read original paper ↗ ·An efficient One-pot three-component synthesis, Molecular docking, ADME and DFT predictions of new series Thiazolidin-4-one derivatives bearing a Sulfonamide moiety as potential Antimicrobial and Antioxidant agents
Egyptian Journal of Chemistry · 2022
Sangar Ali Hassan
Read original paper ↗ ·Optoelectronic, DFT and current-voltage performance of new Schiff base 6-nitro-benzimidazole derivatives
Inorganic Chemistry Communications · 2022
K. Upendranath, Talavara Venkatesh, Yenjerappa Arthoba Nayaka, M. Shashank, Ganganagappa Nagaraju
Read original paper ↗ ·Theoretical and experimental investigation of a pyridinium-based NLO crystal 4-N, N-dimethylamino-4′-N′-methyl-stilbazolium 3,4-dimethoxysulfonate
Optik · 2022
Rui Chen, Kai Xu, Guanjun Wang, Zhiwei Zhang, Lifeng Cao, Bing Teng
Read original paper ↗ ·Theoretical insights into the nonlinear optical properties of cyclotriphosphazene (P3N3Cl6), tris(4–hydroxyphenyl) ethane and their various inorganic–organic hybrid derivatives
Journal of Materials Science · 2022
Majid Basharat, Djebar Hadji
Read original paper ↗ ·Exploring the quinoidal oligothiophenes to their robust limit for efficient linear and nonlinear optical response properties
Chemical Papers · 2022
Shabbir Muhammad, Amna Bibi, Shafiq‐ur‐Rehman, Shamsa Bibi, Abdullah Godran Al-Sehemi, H. Algarni, Fatima Sarwar
Read original paper ↗ ·Optimization of Kumada cross-coupling reactions of tri- and tetra- bromothiophenes and symmetrical di-bromo-2, 2' bithiophene with cyclohexylmagnesium bromide: Synthesis, DFT studies and nonlinear optical analysis
Organic Communications · 2022
Adnan Ahmad Dahadha, Mohammad Abunuwar, Mohammad Al-Dhoun, Mohammad Mehedi Hassan, Mohamed J. Saadh
Read original paper ↗ ·An efficient ultrasound-assisted CH3COONa catalyzed synthesis of thiazolidinone molecule: Theoretical and nonlinear optical evaluations of thiazolidinone-Schiff base derivative
Optical Materials · 2022
Jinan Khudhair Salim, QUSAY MOHAMMED ALI HASSAN, Ahmed Majeed Jassem, Hassan A. Sultan, Adil Muala Dhumad, Chassib A. Emshary
Read original paper ↗ ·Efficient NLO Materials Based on Poly(ortho-anisidine) and Polyaniline: A Quantum Chemical Study
Journal of Electronic Materials · 2022
Abdelbassat Kenane, Djebar Hadji, Kadda Argoub, Ahmed Yahiaoui, Aïcha Hachemaoui, Khaled Toubal, Ali Mustapha Benkouider, Oana Rasoga, Anca I. Stanculescu, Aurelian Catalin Galca
Read original paper ↗ ·Dft Calculation for the Nonlinear Optical Response of Functionalized Quinolines
SSRN Electronic Journal · 2023
Asif Jamal, Zeba Alam, Md. Serajul Haque Faizi, Necmi Dege
Read original paper ↗ ·DFT Calculation for the Nonlinear Optical Response of Functionalized Quinolines
SSRN Electronic Journal · 2023
Asif Jamal, Zeba Alam, Md. Serajul Haque Faizi, Necmi Dege
Read original paper ↗ ·Nonlinear optical response of anthracene as a D-π-A conjugated system: Quantum computation study
AIP conference proceedings · 2023
S. Resan, R. Hameed, F. Bahrani, M. Al-Anber
Read original paper ↗ ·Third-order nonlinear optical properties of choline chloride based deep eutectic solvents: Theoretical and experimental studies
Journal of Molecular Liquids · 2023
Edgar Ferreira, Gabriel Ramos‐Ortíz, Alejandro Vázquez, Mónica Trejo-Durán
Read original paper ↗ ·Design and synthesis of oxazepine derivatives from sulfonamide Schiff bases as antimicrobial and antioxidant agents with low cytotoxicity and hemolytic prospective
Journal of Molecular Structure · 2023
Sangar Ali Hassan, Dara M. Aziz, Media Noori Abdullah, Ajmal Rashid Bhat, Rajendra S. Dongre, Sumeer Ahmed, Aziz Kalilur Rahiman, Taïbi Ben Hadda, Malika Berredjem, Joazaizulfazli Jamalis
Read original paper ↗ ·NLO azo compounds with sulfonamide groups: A theoretical investigation
Journal of the Indian Chemical Society · 2023
Djebar Hadji, Kenza Bousmaha, Mostefa Boumediene
Read original paper ↗ ·In vitro and in vivo evaluation of the antimicrobial, antioxidant, cytotoxic, hemolytic activities and in silico POM/DFT/DNA-binding and pharmacokinetic analyses of new sulfonamide bearing thiazolidin-4-ones
Journal of Biomolecular Structure and Dynamics · 2023
Sangar Ali Hassan, Dara M. Aziz, Media Noori Abdullah, Ajmal Rashid Bhat, Rajendra S. Dongre, Taïbi Ben Hadda, Faisal A. Almalki, Sarkar M. A. Kawsar, Aziz Kalilur Rahiman, Sumeer Ahmed, Magda H. Abdellattif, Malika Berredjem, S. A. Sheikh, Joazaizulfazli Jamalis
Read original paper ↗ ·Electronic, optical and spectroscopic properties of N-dialkyl-imidazolium hexafluorophosphate (CNMIM.PF6) ionic liquid crystal molecules investigated by computational methods
Journal of Molecular Modeling · 2023
Varsha Gautam, Mirtunjai Mishra, Khem Bahadur Thapa, Jitendra Kumar, Devendra Singh, Devesh Kumar
Read original paper ↗ ·Computational study: Synthesis, spectroscopic (UV–vis, IR, NMR), antibacterial, antifungal, antioxidant, molecular docking and ADME of new (E)-5-(1-(2-(4-(2,4-dichlorophenyl)thiazol-2-yl)hydrazineylidene)ethyl)-2,4-dimethylthiazole
Results in Chemistry · 2023
Keshav B. Gangurde, Vishnu A. Adole, Dattatray S. Ghotekar
Read original paper ↗ ·Assessing the dipolar-octupolar NLO behavior of substituted thiosemicarbazone assemblies
Chemical Physics Letters · 2023
Rodrigo Do Monte Gester, Marcelo Ricardo Souza Siqueira, Antonio Rodrigues da Cunha, Raiane Sodré de Araújo, Patricio F. Provasi, Sylvio Canuto
Read original paper ↗ ·Synthesis and characterization of novel thiosemicarbazide for nonlinear optical applications: combined experimental and theoretical study
Revue Roumaine de Chimie · 2023
Djebar Hadji, Abdelmadjid Benmohammed, Younes Mouchaal, Ayada Djafri
Read original paper ↗ ·A green ultrasound-promoted synthesis, experimental, theoretical, and nonlinear optical properties studies of benzylidenehydrazono thiazolidin-4-one derivative
Chemical Papers · 2023
Ahmed Majeed Jassem, QUSAY MOHAMMED ALI HASSAN, Adil Muala Dhumad, Hassan A. Sultan, Jinan Khudhair Salim, Chassib A. Emshary
Read original paper ↗ ·Deeper Insights on the Nonlinear Optical Properties of O-acylated Pyrazoles
Journal of Electronic Materials · 2024
Djebar Hadji, Toufik Bensafi
Read original paper ↗ ·Nonlinear optical and antimicrobial activity of N-acyl glycine derivatives
Journal of Molecular Liquids · 2024
Nour El Houda Nourai, Fatiha Sebih, Djebar Hadji, Fatima Zohra Allal, Soulef Dib, Nadia Kambouche, Valérie Rolland, Salima Bellahouel
Read original paper ↗ ·Nonlinear optical properties of azo sulfonamide derivatives
Journal of Molecular Modeling · 2024
Djebar Hadji, Benamar Baroudi, Toufik Bensafi
Read original paper ↗ ·DFT calculation and molecular docking studies of designing quinoline-derived anti-Alzheimer agents with NLO response
Journal of the Indian Chemical Society · 2024
Asif Jamal, Hela Ferjani, Md. Serajul Haque Faizi, Abdullah Yahya Abdullah Alzahrani
Read original paper ↗ ·Chalcone derivatives with strong nonlinear optical activity
Journal of Optics · 2024
Djebar Hadji, Toufik Bensafi, Benamar Baroudi
Read original paper ↗ ·Remarkable enhancement of the nonlinear optical behavior towards asymmetric substituted D–π–A dithiophene–based compounds
Journal of Molecular Modeling · 2024
Saadia Haq, Areej Tariq, Salma Naz, Saba Abid, Muhammad Nadeem Akhtar, Saifullah Bullo, Norah Saad Alhokbany, Sarfraz Ahmed
Read original paper ↗ ·Synthesis, Crystal Structure, Intermolecular Interactions, HOMO-LUMO, MEP, NLO Properties, and DFT/TD-DFT Investigation of (Z)-5-(4-Nitrobenzylidene)-3-N(3-Chlorophenyl)-2-Thioxothiazolidin-4-One
Polycyclic aromatic compounds · 2024
Soumia Belhachemi, Kadda Argoub, Rachida Rahmani, Manel Boulakoud, Ahmed Djafri, Narimane Kheddam, Charef Tabti, Khaled Toubal, Abdelkader Chouaıh
Read original paper ↗ ·Quantum chemical exploration of linear and nonlinear optical characteristics in C-acylated pyrazoles
Optical and Quantum Electronics · 2024
Toufik Bensafi, Djebar Hadji
Read original paper ↗ ·Investigating spectroscopy and optical responses in azo and non-azo polymeric compounds: a theoretical approach
Optical and Quantum Electronics · 2024
Sumalya Kaluva, Balakrishna Kolli, Mahadevappa Naganathappa
Read original paper ↗ ·Synthesis and Characterization of Novel Chalcone with good Nonlinear Optical Properties
Chemistry Africa · 2024
Abdelmadjid Benmohammed, Djebar Hadji, Younes Mouchaal, Ayada Djafri
Read original paper ↗ ·Exploration of rutin derivatives as potential inhibitors of prostate cancer signaling pathways: A comprehensive in-silico study
Biochemical and Biophysical Research Communications · 2024
Shristi Modanwal, Ashutosh Mishra, Nidhi Mishra, Nidhi Mishra
Read original paper ↗ ·Study of electro-optical behavior of nematic liquid crystal p- butoxybenzylidene, p-heptylaniline (BBHA) under applied electric field by using density functional theory
Journal of Molecular Liquids · 2025
Anoop Kumar Pandey, Kamal Kumar Pandey, Deen Dayal Dubey, Vijay Singh, Apoorva Dwivedi
Read original paper ↗ ·Anti-influenza effects of Aloe vera gel on MDCK cells: protective efficacy against ultraviolet-C exposure and analysis of biochemical characteristics and microbial activities
Frontiers in Sustainable Food Systems · 2025
Rasha Abdulrahman Al-Eisa, Rokayya Sami, Ruqaiah I. Bedaiwi, Roqayah H. Kadi, Suzan A. Abushal, Doaa Mahmoud Johari, Afnan M. Alnajeebi, Reham M. Algheshairy, Abeer A. Abu-Zaid, Sami A. Al-Dhumri
Read original paper ↗ ·Investigating the molecular interactions of two long-chain PFASs with human serum albumin: Insights from multispectral analysis and computational methods
Biochemical and Biophysical Research Communications · 2025
Yao Wu, Erdeng Du, Xichen Wang, Rui Ma, Xuewen Cai, Rutao Cai, Zheng Lu, Mingguo Peng
Read original paper ↗ ·Analyzing Structure–Nonlinear Optical Relationships in Phenols
Journal of Electronic Materials · 2025
Djebar Hadji, Toufik Bensafi, Benamar Baroudi
Read original paper ↗ ·Screening the nonlinear optical properties of reference esters
Journal of Molecular Liquids · 2025
Berkane Ariche, Djebar Hadji, Benamar Baroudi, Toufik Bensafi
Read original paper ↗ ·NBO, NLO and TD-DFT study of homoleptic iron complex derived from dodecyl benzene sulfonate bidentate ligand
Chemical Data Collections · 2025
Houari Brahim, Djebar Hadji, Zahia Zizi, Abdelkrim Guendouzi, Mostefa Boumediene
Read original paper ↗ ·Computational study of nonlinear optical properties of dihydropyridine analogue (1,4-DHP-CHO) using DFT method
Optical and Quantum Electronics · 2025
Ali G. Swadi, QUSAY MOHAMMED ALI HASSAN, Tahseen Abdul Qader Alsalim, Hassan A. Sultan, Chassib A. Emshary
Read original paper ↗ ·Investigation of the Influence of Solvent Polarity and Temperature on the Vibrational Spectra, Photophysical Properties, Optical, and Thermodynamic Characteristics of 1-Benzofuran: A Density Functional Theory Approach
Journal of Solution Chemistry · 2025
Shallo Fekadu, Alemu Kebede, Abebe Belay, Umer Sherefedin, Kebede Shenkute, Diriba Tsegaye, Mintesinot Tesfaye, Yeshanew Fikre Ololo
Read original paper ↗ ·Exploring the Nonlinear Optical Properties of Difluorobenzyl Derivatives: Synthesis and DFT Analysis
Structural Chemistry · 2025
Irfan Mushtaq, Adnan Ahmed, Maqbool Ahmad, Jin‐Cherng Lien, Tingwei Zhang, Ume Aiman, Mumtaz Hussain
Read original paper ↗ ·Third‐Order Nonlinear Optical Studies of (2E)‐2‐(3,4‐Dimethoxybenzylidene)‐3,4‐Dihydronaphthalen‐1(2H)‐One Chalcone Derivative using Z‐Scan Technique and DFT Method
Crystal Research and Technology · 2025
Sankaran Nampoothiri V, Saji Chandran, Sunil Raj, Reshmy Rajasekharan, Neelamma Basayya Gummagol, Lynnette Joseph
Read original paper ↗ ·