Growth, structural, spectral, optical and thermal studies of a novel third-order nonlinear optical single crystal: Piperazine-1, 4-diium bis (2, 4-dichlorobenzoate)

VR Ambika, D Jayalakshmi, K Narendran… - Journal of Molecular …, 2021 - Elsevier
A novel third-nonlinear optical (NLO) crystal, piperazine-1, 4-diium bis (2, 4-
dichlorobenzoate)(abbreviated as PBDCB) was successfully synthesized and grown good …

Research on the possible combustion reaction of C4H4 and its anharmonic effect

Y Wang, W Hu, Z Song, H Yu, L Yao - Chemical Physics Letters, 2024 - Elsevier
The reactions of C 4 H 4 with free radicals and inorganic substances are the significant part
in miniaturizing combustion mechanisms. 35 reactions are studied in these reaction …

A novel n-methylurea cyanurate single crystal: structural and physical characterizations for magneto-electronics applications

P Vinothkumar, M Dhavamurthy… - Journal of Molecular …, 2021 - Elsevier
A urea derivative of novel intermittent N-methylurea cyanurate (NMUC) crystalline salt was
synthesized using methanol solvent, and thus crystals growing in same medium under the …

Dual-Opto-electronic evaluation, and dielectric profile investigation of organic NLO crystal; 4-Dimethylamino-4′-Nitrobiphenyl using computational tool

R Thirumurugan, S Ramalingam, S Periandy… - Journal of Molecular …, 2022 - Elsevier
In this systematic work, the 4-Dimethylamino-4′-Nitrobiphenyl Semi organic single crystal
was grown by slow evaporation method for evaluating non linear optical gradient. The …

Calculation of the anharmonic effect on hydrogen abstraction in the combustion mechanism of ‐propylbenzene

S Xu, Z Song, W Hu, H Yu, L Yao - Journal of the Chinese …, 2024 - Wiley Online Library
This paper presents a comprehensive investigation of the hydrogen abstraction reactions of
n‐propylbenzene during the combustion process, encompassing 14 reaction systems. The …

Structural, dielectric and nonlinear properties of potassium hydrogen oxalate-trihydroxy boron (KHC2O4 B (OH) 3) single-crystal

DS Ajisha, RE Vizhi - Journal of Solid State Chemistry, 2021 - Elsevier
A metal-organic compound of potassium hydrogen oxalate-trihydroxy boron was grown by
solution growth method. The solubility curve validates the positive temperature gradient of …

Calculation of the anharmonic effect on the main reactions referring to ethylbenzene combustion mechanism

Z Song, S Wang, H Yu, W Hu… - Journal of the Chinese …, 2023 - Wiley Online Library
About 11 reactions related to ethylbenzene are studied in this paper using transition state
theory. The YL method proposed by Yao and Lin is utilized to calculate the anharmonic and …

Octane compositions in sulfuric acid catalyzed isobutane/butene alkylation products: Experimental and quantum chemistry studies

L Liang, Y Liu, W Jiao, Q Zhang, C Zhang - Frontiers of Chemical Science …, 2021 - Springer
Octanes in alkylation products obtained from industrial alkylation were studied by batch
experiments. More than eight octane isomers were identified and quantified by gas …

Structural and physical characterizations of an organic Dispiro-Oxindolopyrrolidines single crystal for magnetic applications

G Vimala, P Rajakumar, P Vinothkumar… - Journal of Molecular …, 2022 - Elsevier
An organic dispirooxindolopyrrolidine (DOP) crystalline salt was synthesized by reflux
method using methanol as a solvent. Molecular structure and lattice parameter of the grown …