RESEARCH PAPER · ChemistrySelect · 2023
Experimental and Quantum Chemical Studies of Hydrazone‐based Organic Chromophores: Synthesis, Spectroscopic and Nonlinear Optical Properties
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High-Performance Nonlinear Optical and Thermal Characteristics of a Novel Hydrazone-Based Schiff Base for Optoelectronics
SSRN Electronic Journal · 2024-01-01
Dr. Jayarama A, Anthoni Praveen Menezes, K. Deekshitha, Shashi Kumar Kumara Swamy, K. Ravindraswami, R. Pinto
Read original paper ↗ ·Exploring Nano-optical Molecular Switch Systems for Potential Electronic Devices: Understanding Electric and Electronic Properties through DFT-QTAIM Assembly
ACS Omega · 2024-08-28
HAMID A. HADI, Najet Aouled Dlala, Imen Cherif, Bouzid Gassoumi, Balkis Abdelaziz, Reza Safari, Maria Teresa Caccamo, Salvatore Magazù, Salvatore Patanè, Houcine Ghalla, Sahbi Ayachi
Read original paper ↗ ·Solvent-driven modulation of structural and nonlinear optical properties of a novel hydrazide derivative: synthesis, DFT, and TD-DFT study
Computational and Theoretical Chemistry · 2026-03-23
Jenia Afrin Tanni, Md. Sohel Rana, Md. Abdur Rakib, Sultana Shakila Khan, Md. Abdul Alim, Dr Tapan Kumar Biswas, Md. Belayet Hossain Howlader, Md. Chanmiya Sheikh, Ennio Zangrando, Md. Rezaul Haque Ansary
Read original paper ↗ ·Crystal Structure and Spectroscopic Characterisation of (E)-N′-(2,4-dimethoxybenzylidene)-4-nitrobenzohydrazide (DMNBH): A Combined Experimental and DFT Investigation of its Electronic and NLO Properties
Asian Journal of Chemistry · 2026-04-08
B. Sumathi, V. Vijayalakshmi, V. Sabari, S. Sankar, N. Kanagathara
Read original paper ↗ ·Interplay of Electronic Delocalization and Aggregation Dynamics in Decoding Metabolic Disease Biomarkers: Application to Screening of Biological Fluids and Intracellular Imaging
Langmuir · 2026-04-22
Animesh Pal, Suraj Pise, Imran Ahmad, Nilanjan Dey
Read original paper ↗ ·A thiosemicarbazone derivative as a potential multi-target inhibitor: Molecular docking, DFT, QTAIM, and NLO investigation of thione and thiol tautomers
Talanta · 2026-08-25
Nadia Benhalima, Fatima Yahia Cherif, Nawel Khelloul, Emad Rashad Sindi, Sana Ben Moussa, Abdullah Yahya Abdullah Alzahrani, Ahmed Khelifaoui, Mohammad Borhan Uddin, Abdelkrim Guendouzi, Magdi E. A. Zaki
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