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Training of Machine Learning Potentials for the Modeling of Nucleation in Graphite
AbstractThe parameterization of machine learning potentials (MLP) for precise characterization of the interaction between carbon atoms in graphite...
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Crystal Growth and Luminescence Properties of TbGa3(BO3)4 Crystals
AbstractTbGa 3 (BO 3 ) 4 crystals were grown using the Bi 2 Mo 3 O 12 :B 2 O 3 :Tb 2 O 3 flux, which decreases contamination of Bi in the resulting crystal. The...
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Ab Initio Studies of the Structures, Electronic and Vibrational Properties of Double Phosphates MCdPO4 (M: Li, Na, Rb, Cs)
AbstractStructural, electronic, and vibrational properties of phosphates LiCdPO 4 , NaCdPO 4 , RbCdPO 4 , CsCdPO 4 are studied by density functional theory...
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Retraction Note to: A NEW THREE-DIMENSIONAL Co(II)-MIXED-LIGAND MOF: A PROTECTIVE EFFECT AGAINST ACUTE CEREBRAL INFARCTION BY REDUCING THE HS-CRP CONTENT AND INFLAMMATORY RESPONSE
This article has been retracted. Please see the Retraction Notice for more detail: https://doi.org/10.1134/S0022476624040267
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Structural Features and Photoluminescence of Coordination Compounds Obtained in the Lanthanide(III) Acetate–1,10-Phenanthroline System in the Presence of 5-Phenyltetrazole
AbstractCoordination compounds of europium(III), terbium(III), samarium(III) acetates with 1,10-phenanthroline (phen) and 5-phenyltetrazole (HL) are...
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Retraction Note to: SYNTHESIS, CRYSTAL STRUCTURE, AND ANTI-GASTRIC CANCER ACTIVITY OF A Zn(II) COORDINATION POLYMER WITH A 4,4′-BIS(1-IMIDAZOLYL)BIPHENYL LIGAND
This article has been retracted. Please see the Retraction Notice for more detail: https://doi.org/10.1134/S0022476624040292
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Retraction Note to: Synthesis, Crystal Structure, and Anti-Gastric Cancer Activity of a Heterometallic Coordination Polymer Based on Flexible 6,6-Dithiodinicotinic Acid
This article has been retracted. Please see the Retraction Notice for more detail: https://doi.org/10.1134/S0022476624040243
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Retraction Note to: Structural Characterization and Anti-Colon Cancer Activity of a Three-Dimensional Anionic Indium(III) Coordination Polymer
This article has been retracted. Please see the Retraction Notice for more detail: https://doi.org/10.1134/S0022476624040231
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Covalent Functionalization of Few-Layer Black Phosphorus by the Complex [NiBr2(phen)] (phen = 1,10-Phenanthroline)
AbstractA 2D material few-layer black phosphorus (FLBP) has promising applications in various fields of chemistry and physics due to its unique...
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Retraction Note to: CRYSTAL STRUCTURE AND ANTI-LIVER CANCER ACTIVITY OF A NEW TETRANUCLEAR Zn COMPLEX WITH 2-ETHOXY-6-METHYLIMINOMETHYL-PHENOL
This article has been retracted. Please see the Retraction Notice for more detail: https://doi.org/10.1134/S0022476624040255
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Retraction Note to: A New Ni(II)-Containing Coordination Complex Based on Carboxylate and Multinitrogen Co-Ligands: Crystal Structure and Protective Effect on Type 2 Diabetes by Down-Regulating PKC and MAPK Activation
This article has been retracted. Please see the Retraction Notice for more detail: https://doi.org/10.1134/S0022476624040218
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New Asymmetric Iminophosphonamide Ligand and Its Yttrium Complex: Synthesis and Crystal Structure
AbstractAsymmetric aminoiminophosphorane Ph 2 P(NHPbt)(=NMes) (HL) is synthesized by the reaction of Pbt–NHPPh 2 and MesN 3 ...
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Synthesis, Crystal Structure, Spectroscopic Characterization, in Vitro and in Silico Studies of Water-Soluble (Z)-N'-Hydroxy-2-Morpholinonicotinimidamide
AbstractA water-soluble compound (Z)-N′-hydroxy-2-morpholinonicotinimidamide was synthesized, and it has a multi-functional group, such as...
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Crystal Structure of the Cyano-Bridged Coordination Copper(I) Complex [Cu8(dpe)4(CN)8]·2dpe·H2O
AbstractCyano-bridged layered coordination polymer [Cu 8 (dpe) 4 (CN) 8 ]·2dpe·H 2 O ( 1 ) is prepared by the hydrothermal reaction of CuCN and dpe...
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Density Functional Theory and Molecular Dynamics Study of the Cation Substitution Effect on the Structure of Halide Perovskites
AbstractFor the last few years technical improvements of compositions and preparation procedures for perovskite-based solar cells have remarkably...
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A New Pyridine-Azacrown Compound Py3Am and Crystal Structures of Its Complexes with Zn2+ and Ni2+ Cations
AbstractThe aza-macrocyclic ligand Py3Am based on a pyridine-azacrown compound containing three chelating acetamide groups is synthesized for the...
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Synthesis and Structure of [{Ln(Me2Si(NMes)2)(THF)2}2(μ-L)2] (L = \(\mathbf{BH}_{\mathbf{4}}^{-}\), Ln = Y, Dy; L = PhS–, Ln = Y, Tb, Dy) Complexes
AbstractNew silanediamide complexes of rare-earth elements are synthesized: [{Dy(Me 2 Si(NMes) 2 )(THF) 2 } 2 (μ-Cl) 2 ] ( Dy1 ), [{Ln(Me 2 Si(NMes) 2 )(THF) 2 } 2 (μ-BH
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Nature of the Pt–Os Chemical Bond in Nanoalloys
AbstractThe electronic structure of Os 0.5 Pt 0.5 bimetallic nanoalloys is studied by X-ray photoelectron spectroscopy and X-ray absorption...
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Structural Investigation and Hirshfeld Surface Analysis of Two [ONO]-Type Schiff Bases
AbstractTwo novel [ONO]-type tridentate Schiff base compounds namely ( E )-2-(((2-hydroxyphenyl)imino) methyl)-4,5-dimethoxyphenol, C 15 H 15 NO 4 ( 1 ), and...
