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Electronic structure and rearrangements of anionic [ClMg (η2-O2C)]− and [ClMg (η2-CO2)]− complexes: a quantum chemical topology study
(Springer Verlag, 2017)
The electronic structure and rearrangements of anionic [ClMg(η2-O2C)] and [ClMg(η2-
CO2)]- complexes have been elucidated by the combined use of bonding evolution
theory (BET), quantum theory of atoms in molecules (QTAIM) ...
Chemi-Structural Stabilization of Formamidinium Lead Iodide Perovskite by Using Embedded Quantum Dots
(American Chemical Society, 2020-01-6)
The approaches to stabilize the perovskite structure of formamidinium lead iodide (FAPI) commonly result in a blue shift of the band gap, which limits the maximum photoconversion efficiency. Here, we report the use of PbS ...
Studies on the Reactivity of the Aminophosphino [W 3 S 4 Br 3 (edpp ) 3 ] + (edpp= (2 - aminoethyl) diphenylphosphine) Cluster Cation towards Bases Reveal ing a Non - Passive Role of the Amino Group
(Wiley, 2017-11-24)
Detailed studies using stopped-flow, 31
P{
1
H} NMR, a
nd
ESI
-
MS have been carried on the reaction
of the [W
3
S
4
Br
3
(edpp)
3
]
+
(edpp =
(
2
-
aminoethyl)diphenylphosphine
) ...
Molecular Mechanism of the site-specific self-cleavage of the RNA phosphodiester backbone by a Twister Ribozyme
(Springer, 2017-02)
The catalytic activity of some classes of natural RNA, named as ribozymes, has been discovered just in the past decades. In this paper, the cleavage of the RNA phosphodiester backbone has been studied in aqueous solution ...
Directed emission of CdSe nanoplatelets originating from strongly anisotropic 2D electronic structure
(Nature Publishing Group, 2017)
ntrinsically directional light emitters are potentially important for applications in photonics including lasing and energy-efficient display technology. Here, we propose a new route to overcome intrinsic efficiency ...
Occurrence of pharmaceutical metabolites and transformation products in the aquatic environment of the Mediterranean area
(Elsevier, 2021-02-09)
The presence of pharmaceutically active substances (PhACs) in aquatic ecosystems is of great concern dueto their constant occurrence in different water systems and potential negative effects on the quality ofwater and ...
Updating the list of known opioids through identification and characterization of the new opioid derivative 3,4-dichloro-N- (2-(diethylamino)cyclohexyl)-N- methylbenzamide (U-49900)
(Springer Nature, 2017)
New psychoactive substances have been rapidly growing in popularity in the drug market as non-illegal drugs. In the last few years, an increment has been reported on the use of synthetic alternatives to heroin, the synthetic ...
Modulating the properties of multifunctional semiconductors by means of morphology: Theory meets experiments
(Elsevier, 2021-02-15)
Morphology control of multifunctional semiconductor materials is a significant topic since it
directly impacts the physical and chemical properties in catalysis, photonics, energy
conversion, and other applications. ...
Singlet-triplet gaps in large multireference systems: spin-flip-driven alternatives for bioinorganic modelling
(American Institute of Physics, 2007-07)
The proper description of low-spin states of open-shell systems, which are commonly encountered in the field of bioinorganic chemistry, rigorously requires using multireference ab initio methodologies. Such approaches are ...
Investigation of pharmaceuticals in processed animal by-products by liquid chromatography coupled to high-resolution mass spectrometry
(Elsevier, 2016-07)
There is an on-going trend for developing more sustainable salmon feed in which traditionally applied marine feed ingredients are replaced with alternatives. Processed animal products (PAPs) have been re-authorized as novel ...