Papers citing Synthesis and DFT calculations of linear and nonlinear optical responses of novel 2-thioxo-3-N,(4-methylphenyl) thiazolidine-4 one
Investigation of structural and conformational stability, electronic transition, NLO, FMO, and DSSC parameters of trans-dichloro-nitro chalcone isomers: a DFT insight
Journal of Computational Electronics · 2025-07-13
Hazhi Hasan Hussein, Ghazwan Faisal Fadhil
Read original paper ↗ ·Chlorophyll encapsulation and D2O solutions: linear and nonlinear optical properties and DFT calculations
Optical and Quantum Electronics · 2025-08-05
Ebrahim Rostamabadi, Soheil Sharifi
Read original paper ↗ ·Synthesis of Vanillin derivative Schiff's bases from threonine, and valine: Structural study and multiscale computational modeling
Biochemical and Biophysical Research Communications · 2025-08-19
R. Karthika, S. Nandhini, S. Suriya, Thangaiyan Pooventhiran, Abdullah Yahya Abdullah Alzahrani, Renjith Thomas
Read original paper ↗ ·Computational study of optical, nonlinear optical, and phosphorescent properties of cyclometalated iridium heteroleptic complexes based on cyclophane
Monatshefte für Chemie - Chemical Monthly · 2025-10-14
Mostefa Boumediene, Houari Brahim, Djebar Hadji, Abdelkrim Guendouzi, Abdelmadjid Guendouzi
Read original paper ↗ ·Thermodynamic and Electronic Stability of Alkalides Based on Tetraza-18-Crown-6 Ether Complexes for Enhanced Nonlinear Optical Performance
Structural Chemistry · 2025-10-22
Sidra Yasmeen, Riaz Hussain, Jabir Hussain, Muhammad Durair Sajjad Haider, Khaled Fahmi Fawy, Ajaz Hussain, Khurshid Ayub
Read original paper ↗ ·Recent Advances in the Third Order Nonlinear Optical Properties of Chalcone Derivatives: a Review
Journal of Fluorescence · 2025-10-23
Mohd Abdul Mujeeb, Md. Shahbaz, Md. Zafer Alam, R. Ansari, Hakeem Aleem Basha, Alimuddin Alimuddin, Salman A. Khan
Read original paper ↗ ·Antitumor, biological and nonlinear optical activities of novel thiazolidines
Photochemical & Photobiological Sciences · 2025-10-27
Sabah Abbas, Ahmed A. Majed, Mostafa hashim Moker, Tahseen Abdul Qader Alsalim, Toufik Bensafi, Djebar Hadji, Benamar Baroudi, Ahmed Adnan Al-Khafagi, Dawood S. Abid
Read original paper ↗ ·Hexamine metalides: Redefining nonlinear optics with record-breaking hyperpolarizability
Journal of Molecular Liquids · 2025-10-31
Jabir Hussain, Muhammad Arshad, Riaz Hussain, Ajaz Hussain, Annum Ahsan, Saleh S. Alarfaji, Khurshid Ayub
Read original paper ↗ ·CAM-B3LYP prediction of nonlinear optical properties in 1, 6- and 2, 7-(pyrene)n oligomers
Theoretical Chemistry Accounts · 2025-11-03
Noureddine Yousfi, Mourad Zouaoui–Rabah, Khadidja Adjir, Majda Sekkal-Rahal
Read original paper ↗ ·Structure-optical, linear and nonlinear optical properties relationship in thiazolidine-amides
Structural Chemistry · 2025-12-01
Mostefa Boumediene, Benamar Baroudi, Toufik Bensafi, Djebar Hadji
Read original paper ↗ ·Synthesis, characterization and molecular insights towards antidiabetic profiling of novel curcumin-derived Schiff base metal complexes
Biochemical and Biophysical Research Communications · 2025-12-20
J.Stephy John, P. Metilda
Read original paper ↗ ·Exploring the NLO potential of new designed thieno[2,3-b]indole-based derivatives via donor group modification: a DFT study on static and frequency-dependent NLO properties
Journal of Computational Electronics · 2026-01-10
Muhammad Khalid, Mashal Khan, Khansa Gull, Maham Mubarak, Muhammad Nadeem Arshad, Muhammad Imran
Read original paper ↗ ·Charge-localized aza-12-crown based alkalides with exceptional nonlinear optical response
Structural Chemistry · 2026-01-12
Jabir Hussain, Rana Farhat Mehmood, Riaz Hussain, Sarah Tariq, M. Umer Farooq, Muhammad Arshad, Ajaz Hussain, Khurshid Ayub
Read original paper ↗ ·Theoretical study of linear and nonlinear optical properties of ethanamide derivatives
Discover Chemistry. · 2026-02-05
Benamar Baroudi, Toufik Bensafi, Djebar Hadji
Read original paper ↗ ·Exploration of impact of acceptor moieties on nonlinear optical characteristics into triphenylamine based organic materials: DFT study
Structural Chemistry · 2026-02-09
Muhammad Khalid, Zobia Anjum, Memoona Arshad, Muqadas Javed, Muhammad Imran
Read original paper ↗ ·Exploration of NLO potential in phenanthroimidazole-based non-fullerene chromophores: a frequency-dependent modulation of D–π–A architecture via DFT/TDDFT studies
Structural Chemistry · 2026-02-24
Iqra Shafiq, Iqra Yasmeen, Rabia Baby, Farzana Shaheen, Rifat Jawaria, Muhammad Nadeem Arshad, Muhammad Imran
Read original paper ↗ ·Molecular Structure, Theoretical and Experimental Vibrational Spectroscopy, NBO Investigation, RDG, IRI, AIM Analyses, and NLO Study of 1‐[(E)‐2‐(5‐chloro‐2‐hydroxyphenyl) Hydrazine‐1‐ylidene] Naphthalen‐2(1H)‐one
ChemistrySelect · 2026-05-01
Nadia Benhalima, Nourdine Boukabcha, Souhyela Chetioui, Abdelkader Chouaıh
Read original paper ↗ ·4‐Thiazolidinone Derivatives as PARP‐1 Inhibitors Targeting Breast Cancer: Integrating DFT, Molecular Docking, Molecular Dynamics Simulations, and ADMETox Analysis
ChemistrySelect · 2026-05-29
Meenakshi Negi, Nitish Kumar, Megha, Pooja A. Chawla, Abdul Faruk
Read original paper ↗ ·Molecular modeling of [15]anen5 based alkaline earthides to explore their electronic and nonlinear optical properties
Optical and Quantum Electronics · 2026-06-04
Shoukat Hussain, Shoukat Hussain, Rana Farhat Mehmood, Jabir Hussain, Jabir Hussain, Ajaz Hussain, Muhammad Arshad, Ajaz Hussain, Ajaz Hussain, Muhammad Arshad, Khaled Fahmi Fawy, Khurshid Ayub
Read original paper ↗ ·