Structural insights, spectral, flourescence, Z-scan, CH… O/NH… O hydrogen bonding and AIM, RDG, ELF, LOL, FUKUI analysis, NLO activity of N-2 (Methoxy phenyl) …
MJ Pramila, DA Dhas, IH Joe, S Balachandran… - Journal of Molecular …, 2023 - Elsevier
Quantum chemical calculations of geometries and vibrational wavenumbers of N-2 (methoxy
phenyl) acetamide (N2MPA) in the ground state were carried out by using density functional …
phenyl) acetamide (N2MPA) in the ground state were carried out by using density functional …
Experimental and theoretical exploration of the new stilbazolium-family single crystal grown by the integration of a novel anion for optical limiting and optoelectronic …
Recently, laser-oriented devices have emerged as an essential component of modern
technology. These high-intensity devices also adversely affect the human eyes and skin. To …
technology. These high-intensity devices also adversely affect the human eyes and skin. To …
Growth and characterization of piperazine oxalic acid monochloride semiorganic NLO single crystals
G Sudhakar, DR Babu - Optical Materials, 2024 - Elsevier
Piperazine oxalic acid hydrochloride (POC) single crystal has been grown by the gradual
evaporation technique with distilled water. XRD diffraction was examined structures and …
evaporation technique with distilled water. XRD diffraction was examined structures and …
Growth, linear and nonlinear optical property and dielectric studies of an efficient organic ionic single crystal: 2-amino-5-methyl-pyridinium trifluoroacetate for …
T Murugan, KS Murugesan, BM Boaz - Indian Journal of Physics, 2022 - Springer
Single crystals of an efficient nonlinear optical material 2-amino-5-methyl-pyridinium
trifluoroacetate have been successfully grown by slow evaporation technique using …
trifluoroacetate have been successfully grown by slow evaporation technique using …
Crystal growth, structural, optical, thermal, DFT and SHG studies of an organic crystal: 2, 6-diaminopyridin-1-ium hydrogen glutarate (2, 6 DAG)
K Karthika, C Senthilkumar, KS Dhivya… - Journal of Materials …, 2024 - Springer
Abstract The 2, 6-diaminopyridin-1-ium hydrogen glutarate (2, 6 DAG) organic crystal has
been grown using the slow evaporation method. Density functional theory (DFT) calculation …
been grown using the slow evaporation method. Density functional theory (DFT) calculation …
Crystal growth, structural, optical, thermal, second-order nonlinear optical and quantum chemical analyses of glutaric acid 2-imidazolidinone crystal
K Karthika, C Senthilkumar, KS Dhivya… - Journal of Materials …, 2023 - Springer
Abstract An organic imidazolidin-2-one-glutaric acid (IGA) co-crystal was grown by the slow
evaporation solution growth technique. The monoclinic crystal structure of IGA crystal was …
evaporation solution growth technique. The monoclinic crystal structure of IGA crystal was …
A Novel Strategy for Comprehensive Estimation of Lattice Energy, Bulk Modulus, Chemical Hardness and Electronic Polarizability of ANB8-N Binary Inorganic …
X Zhao, X Wang - Crystals, 2023 - mdpi.com
How to search for a convenient method without a complicated calculation process to predict
the physicochemical properties of inorganic crystals through a simple micro-parameter is a …
the physicochemical properties of inorganic crystals through a simple micro-parameter is a …
Application of computational techniques on non-covalent interactions, H-bond nature of monomeric and dimeric form of crystal structures, and topological insights of …
J Tracy, S Gnanam, M Thirunavukkarasu… - Journal of the Indian …, 2024 - Elsevier
This study utilizes DFT to investigate and optimize the structure of Glycine Glutaric acid
(GGA) crystal in both monomer and dimer forms, assessing its electronic and optical …
(GGA) crystal in both monomer and dimer forms, assessing its electronic and optical …
Physicochemical and Nonlinear Optical Properties of a Stilbazolium Family Single Crystal with Third Order Nonlinear Optical Activity
S Anand, M Usha Rani - ChemPhotoChem, 2023 - Wiley Online Library
A novel counter anion group was incorporated with the organic stilbazolium cation
(C16H19N2+) to yield a new third‐harmonic‐generation‐active single crystal of 4‐[2‐(4 …
(C16H19N2+) to yield a new third‐harmonic‐generation‐active single crystal of 4‐[2‐(4 …
Synthesis, growth, structural, thermal, electrical and optical properties of organic NLO: N'methyl urea oxalic acid
P Vinothkumar, S Praveenkumar - Journal of Optics, 2024 - Springer
An organic mono methyl urea oxalic acid was synthesized and a single crystal was grown by
a slow evaporation method using methanol as a solvent. Single crystal and high-resolution …
a slow evaporation method using methanol as a solvent. Single crystal and high-resolution …