Effects of the molecular structure on the second-order nonlinear optical properties of stilbazolium derivative single crystals: a review
S Kannan, A Sekar, K Sivaperuman - Journal of Materials Chemistry C, 2020 - pubs.rsc.org
There is considerable interest in the design and development of organic nonlinear optical
(NLO) materials with macroscopic second-order optical nonlinearities in the field of high …
(NLO) materials with macroscopic second-order optical nonlinearities in the field of high …
Computational study of non-linear optical and electrical properties of 1, 3-dinitropyrene
This study aims to explore the optoelectronic properties of a pyrene derivative 1, 3-
dinitropyrene using density functional theory to determine molecular electrostatic potential …
dinitropyrene using density functional theory to determine molecular electrostatic potential …
Synthesis, characterization, DFT calculation, antioxidant activity, ADMET and molecular docking of thiosemicarbazide derivatives and their Cu (II) complexes
In this work, new thiosemicarbazides (ECA-1, ECA-2) and their Cu (II) complexes (ECA-1-
Cu, ECA-2-Cu) were synthesized and their structures were characterized by 1 H NMR, 13 C …
Cu, ECA-2-Cu) were synthesized and their structures were characterized by 1 H NMR, 13 C …
Novel thiadiazole‐derived Schiff base ligand and its transition metal complexes: Thermal behaviour, theoretical study, chemo‐sensor, antimicrobial, antidiabetic and …
VP Radha, M Prabakaran - Applied Organometallic Chemistry, 2022 - Wiley Online Library
Novel thiadiazole‐based Schiff base ligand (L) and their Co (II), Ni (II), Cu (II) and Zn (II)
metal complexes have been prepared and characterized using elemental analysis, IR, 1H …
metal complexes have been prepared and characterized using elemental analysis, IR, 1H …
Study of nonlinear optical responses of phytochemicals of Clitoria ternatea by quantum mechanical approach and investigation of their anti-Alzheimer activity with in …
Clitoria ternatea is a flowering plant with promising medicinal plants with a wide variety of
active phytochemicals. The present study aimed at the computational investigation of the …
active phytochemicals. The present study aimed at the computational investigation of the …
Designing Non‐Centrosymmetric Molecular Crystals: Optimal Packing May Be Just One Carbon Away
GA Valdivia‐Berroeta, EW Jackson… - Advanced Functional …, 2020 - Wiley Online Library
Molecular nonlinear optical (NLO) crystals feature important advantages compared to
inorganic counterparts, such as low dielectric constants, ultrafast response times, and large …
inorganic counterparts, such as low dielectric constants, ultrafast response times, and large …
Transition metal complexes of novel binuclear Schiff base derived from 3, 3′-diaminobenzidine: synthesis, characterization, thermal behavior, DFT, antimicrobial and …
A series of binuclear Co (II), Ni (II), Cu (II), and Zn (II) complexes were prepared with a novel
bidentate Schiff base ligand derived by condensation of 3, 3′-diaminobenzidine with …
bidentate Schiff base ligand derived by condensation of 3, 3′-diaminobenzidine with …
Theoretical study on spectral and optical properties of essential amino acids: a comparative study
In the present work, a theoretical study has been performed targeting essential amino acids
(EAA) Histidine, Isoleucine, Leucine, Lysine, Methionine, Phenylalanine, Threonine …
(EAA) Histidine, Isoleucine, Leucine, Lysine, Methionine, Phenylalanine, Threonine …
Synthesis, DFT calculations, biological investigation, molecular docking studies of β-lactam derivatives
In this study β-lactam derivatives which include 1, 3, 4-thiadiazole and 1, 3, 4-oxadiazole
structure (8a, b) have been achieved by cyclocondensation reaction. The synthesized …
structure (8a, b) have been achieved by cyclocondensation reaction. The synthesized …
Synthesis, characterization, antimicrobial activity, carbonic anhydrase enzyme inhibitor effects, and computational studies on new Schiff bases of Sulfa drugs and their …
New Schiff bases (E) single bondN-(3, 4-dimethylisoxazol-5-yl)-4-((2-hydroxy-3-
methoxybenzylidene) amino) benzenesulfonamide (Ll),(E) single bondN-(3, 4 …
methoxybenzylidene) amino) benzenesulfonamide (Ll),(E) single bondN-(3, 4 …