First principles study for the key electronic, optical and nonlinear optical properties of novel donor-acceptor chalcones
Using first-principle methods, several key electronic, optical and nonlinear optical properties
are calculated for two recently synthesized chalcone derivatives ie (2E)-3-(4-methylphenyl) …
are calculated for two recently synthesized chalcone derivatives ie (2E)-3-(4-methylphenyl) …
Tuning the push–pull configuration for efficient second-order nonlinear optical properties in some chalcone derivatives
Using the density functional theory methods, we effectively tune the second-order nonlinear
optical (NLO) properties in some chalcone derivatives. Various unique push–pull …
optical (NLO) properties in some chalcone derivatives. Various unique push–pull …
Synthesis, spectroscopic (FT-IR, FT-Raman, NMR), reactivity (ELF, LOL and Fukui) and docking studies on 3-(2‑hydroxy-3‑methoxy-phenyl)-1-(3-nitro-phenyl) …
The present article encloses synthesis and characterizations of 3-(2‑hydroxy-3‑methoxy-
phenyl)-1-(3-nitro-phenyl)-propenoneby several experimental techniques such as FT-IR, FT …
phenyl)-1-(3-nitro-phenyl)-propenoneby several experimental techniques such as FT-IR, FT …
Synthesis, spectroscopic (FT-IR, FT-Raman, NMR & UV-Vis), reactive (ELF, LOL, Fukui), drug likeness and molecular docking insights on novel 4-[3-(3-methoxy …
The spectroscopic analysis such as FT-IR, FT-Raman, UV-Vis and NMR are conducted for
the synthesized molecule by both experimental and theoretical approach. The theoretical …
the synthesized molecule by both experimental and theoretical approach. The theoretical …
Synthesis, growth and characterization of a long-chain π-conjugation based methoxy chalcone derivative single crystal; a third order nonlinear optical material for …
Abstract Organic material (chalcone derivative 4-[(1E)-3-(4-methoxyphenyl)-3-oxoprop-1-en-
1-yl] phenyl 4-methylbenzene-1-sulfonate {4MPMS}) has been grown by solvent …
1-yl] phenyl 4-methylbenzene-1-sulfonate {4MPMS}) has been grown by solvent …
Cis and trans isomers of 1-(5-bromothiophen-2-yl)-3-(10-chloroanthracen-9-yl) prop-2-en-1-one: Synthesis and characterization
Chalcone derivatives are simple chemical scaffold found in natural products and have been
extensively used as an effective template in medicinal chemistry for drug discovery. Two …
extensively used as an effective template in medicinal chemistry for drug discovery. Two …
Experimental spectroscopic and molecular docking investigations of the anticancer drugs aprepitant and capecitabine
PV Ramana - Theoretical Chemistry Accounts, 2023 - Springer
Cancer is one of the disorders that causes the most fatalities in modern times and is
responsible for a significant number of deaths each year. The accurate administration of this …
responsible for a significant number of deaths each year. The accurate administration of this …
Theoretical and experimental approach to the investigation of hyperpolarizability and charge transfer characteristics of NLO active 2′, 3, 4, 4′, 5-pentamethoxy …
Abstract Organic crystals of 2′, 3, 4, 4′, 5-pentamethoxy chalcone (PMC), grown by slow
evaporation technique, are subjected to spectroscopic and nonlinear optical analyses. The …
evaporation technique, are subjected to spectroscopic and nonlinear optical analyses. The …
Synthesis, crystal structure, experimental and theoretical investigations of 3-(4-ethoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
A chalcone derivative namely,(E)-3-(4-ethoxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
(1v) has been synthesized and characterized on the basis of its spectral data. The solid state …
(1v) has been synthesized and characterized on the basis of its spectral data. The solid state …
含多甲氧基芳香基双查尔酮的合成, 表征及光热性能.
石玉芳， 王迎进， 孙金鱼… - Chinese Journal of …, 2022 - search.ebscohost.com
氧基苯基) 2 丙烯酰基] 苯(BTAB). 该化合物的结构通过核磁共振波谱仪(NMR)
和质谱等技术手段得到确认. 采用热综合分析方法测定了DSC/TG 曲线, 发现该化合物的熔点为 …
和质谱等技术手段得到确认. 采用热综合分析方法测定了DSC/TG 曲线, 发现该化合物的熔点为 …