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Simple, reliable, and universal metrics of molecular planarity
T Lu - Journal of molecular modeling, 2021 - Springer
Planarity is a very important structural character of molecules, which is closely related to
many molecular properties. Unfortunately, there is currently no simple, universal, and robust …
many molecular properties. Unfortunately, there is currently no simple, universal, and robust …
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 …
Chemical structure modification of Brazilin-based natural dye with TiO2 nanostructure improves photovoltaic properties for maximum simulated PCE for DSSCs …
Brazilin has been explored as a photosensitizer in dye-sensitized solar cells (DSSCs) owing
to its easy extraction, abundance, and environmental friendliness. However, its narrow solar …
to its easy extraction, abundance, and environmental friendliness. However, its narrow solar …
Enhancing nonlinear optical responses via methoxy positional isomerism in chalcone-based materials
The functional moieties present in chalcone derivatives play a pivotal role in finely adjusting
the thermal, optical, structural, and nonlinear optical (NLO) characteristics of the chalcone …
the thermal, optical, structural, and nonlinear optical (NLO) characteristics of the chalcone …
Ultra-high-response, multiply twisted electro-optic chromophores: influence of π-system elongation and interplanar torsion on hyperpolarizability
The systematic synthesis, structural, optical spectroscopic, and second-order nonlinear
optical (NLO) characterization of a series of donor–acceptor poly-arylene chromophores …
optical (NLO) characterization of a series of donor–acceptor poly-arylene chromophores …
Second-order nonlinear optical properties of two chalcone derivatives: insights from sum-over-states
In this study, a combined experimental and theoretical study of the nonlinear optical
properties (NLO) of two chalcone derivatives,(E)-3-(2-methoxyphenyl)-1-(2 …
properties (NLO) of two chalcone derivatives,(E)-3-(2-methoxyphenyl)-1-(2 …
Comparing two-photon absorption of chalcone, dibenzylideneacetone and thiosemicarbazone derivatives
We compared the experimental nonlinear optical responses (NLO) of one chalcone (BCH-
1), two dibenzylideneacetone (BCH-2 and BCH-3), and two thiosemicarbazones …
1), two dibenzylideneacetone (BCH-2 and BCH-3), and two thiosemicarbazones …
Benzenesulfonyl incorporated chalcones: Synthesis, structural and optical properties
Although the optical properties and applicability of chalcones as potential nonlinear optical
(NLO) materials is well known, hybrids having both chalcone and sulfonamide portions are …
(NLO) materials is well known, hybrids having both chalcone and sulfonamide portions are …
Synthesis and structural studies on (E)-3-(2, 6-difluorophenyl)-1-(4-fluorophenyl) prop-2-en-1-one: a promising nonlinear optical material
A new fluorinated chalcone (E)-3-(2, 6-difluorophenyl)-1-(4-fluorophenyl) prop-2-en-1-one
was synthesized in 90% yield and crystallized by a slow evaporation technique. Its full …
was synthesized in 90% yield and crystallized by a slow evaporation technique. Its full …