近5年高被引文献
Effect of different end-capped donor moieties on non-fullerenes based non-covalently fused-ring derivatives for achieving high-performance NLO properties
article
Full Text
OpenAlex
72
FWCI5.5877
Enriching NLO efficacy via designing non-fullerene molecules with the modification of acceptor moieties into ICIF2F: an emerging theoretical approach
article
Full Text
OpenAlex
69
FWCI3.7779
Structure, chemical reactivity, NBO, MEP analysis and thermodynamic parameters of pentamethyl benzene using DFT study
article
Full Text
OpenAlex
67
FWCI5.2166
DFT study of alkali and alkaline earth metal-doped benzocryptand with remarkable NLO properties
article
Full Text
OpenAlex
61
FWCI2.9858
Influence of End-Capped Modifications in the Nonlinear Optical Amplitude of Nonfullerene-Based Chromophores with a D−π–A Architecture: A DFT/TDDFT Study
article
Full Text
OpenAlex
56
FWCI2.6809
The DFT and in-silico analysis of 2,2′-((1e,1′e)-((3,3′-dimethyl-[1,1′-biphenyl]−4,4′ diyl)bis(azanylylidene))bis(methanylylidene))diphenol molecule
article
Full Text
OpenAlex
49
FWCI5.5462
Design, synthesis, and aldose reductase inhibitory effect of some novel carboxylic acid derivatives bearing 2-substituted-6-aryloxo-pyridazinone moiety
article
Full Text
OpenAlex
48
FWCI5.2575
Synthesis, crystal structure, characterization, Hirshfeld analysis, molecular docking and DFT calculations of 5-Phenylamino-isophthalic acid: A good NLO material
article
Full Text
OpenAlex
45
FWCI2.62
Vibrational Characterization and Molecular Electronic Investigations of 2-acetyl-5-methylfuran using FT-IR, FT-Raman, UV–VIS, NMR, and DFT Methods
article
Full Text
OpenAlex
44
FWCI2.6201
Pharmacotherapy of Depressive Disorders in Conditions of Coronavirus Disease: Pharmacoeconomic Experimental Study
article
Full Text
OpenAlex
44
FWCI10.8851