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Synthesis and Computational Investigations of New Thioether/Azomethine Liquid Crystal Derivatives
Synthesis and Computational Investigations of New Thioether/Azomethine Liquid Crystal Derivatives
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Synthesis and Computational Investigations of New Thioether/Azomethine Liquid Crystal Derivatives

Omar, Alaa Z. ; El-Atawy, Mohamed A. ; Alsubaie, Mai S. ; Alazmi, Mohammed L. ; Ahmed, Hoda A. ; Hamed, Ezzat A.

Crystals (Basel), 2023-03, Vol.13 (3), p.378 [Periódico revisado por pares]

Basel: MDPI AG

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2
Ultrahigh-Density Superhard Hexagonal BN and SiC with Quartz Topology from Crystal Chemistry and First Principles
Ultrahigh-Density Superhard Hexagonal BN and SiC with Quartz Topology from Crystal Chemistry and First Principles
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Ultrahigh-Density Superhard Hexagonal BN and SiC with Quartz Topology from Crystal Chemistry and First Principles

Matar, Samir F. ; Solozhenko, Vladimir L.

Crystals (Basel), 2023-10, Vol.13 (10), p.1498 [Periódico revisado por pares]

Basel: MDPI AG

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3
Structural Properties of Yttrium Aluminum Garnet, Doped with Lanthanum
Structural Properties of Yttrium Aluminum Garnet, Doped with Lanthanum
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Structural Properties of Yttrium Aluminum Garnet, Doped with Lanthanum

Zhanturina, Nurgul ; Sergeyev, Daulet ; Aimaganbetova, Zukhra ; Zhubaev, Abzal ; Bizhanova, Karlygash

Crystals (Basel), 2022-08, Vol.12 (8), p.1132 [Periódico revisado por pares]

Basel: MDPI AG

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4
Computational Study of Benzothiazole Derivatives for Conformational, Thermodynamic and Spectroscopic Features and Their Potential to Act as Antibacterials
Computational Study of Benzothiazole Derivatives for Conformational, Thermodynamic and Spectroscopic Features and Their Potential to Act as Antibacterials
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Computational Study of Benzothiazole Derivatives for Conformational, Thermodynamic and Spectroscopic Features and Their Potential to Act as Antibacterials

Mubarik, Adeel ; Mahmood, Sajid ; Rasool, Nasir ; Hashmi, Muhammad Ali ; Ammar, Muhammad ; Mutahir, Sadaf ; Ali, Kulsoom Ghulam ; Bilal, Muhammad ; Akhtar, Muhammad Nadeem ; Ashraf, Ghulam Abbas

Crystals (Basel), 2022-07, Vol.12 (7), p.912 [Periódico revisado por pares]

Basel: MDPI AG

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5
How Do Small Differences in Geometries Affect Electrostatic Potentials of High-Energy Molecules? Critical News from Critical Points
How Do Small Differences in Geometries Affect Electrostatic Potentials of High-Energy Molecules? Critical News from Critical Points
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How Do Small Differences in Geometries Affect Electrostatic Potentials of High-Energy Molecules? Critical News from Critical Points

Kretić, Danijela S. ; Medaković, Vesna B. ; Veljković, Dušan Ž.

Crystals (Basel), 2022-10, Vol.12 (10), p.1455 [Periódico revisado por pares]

Basel: MDPI AG

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6
First-Principles Calculations of Structural and Mechanical Properties of Cu–Ni Alloys
First-Principles Calculations of Structural and Mechanical Properties of Cu–Ni Alloys
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First-Principles Calculations of Structural and Mechanical Properties of Cu–Ni Alloys

Wei, Yun ; Niu, Ben ; Liu, Qijun ; Liu, Zhengtang ; Jiang, Chenglu

Crystals (Basel), 2023-01, Vol.13 (1), p.43 [Periódico revisado por pares]

Basel: MDPI AG

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7
Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations
Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations
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Single-Crystal X-ray Structure Determination of Tris(pyrazol-1-yl)methane Triphenylphosphine Copper(I) Tetrafluoroborate, Hirshfeld Surface Analysis and DFT Calculations

Castro, Jesús ; Ferraro, Valentina ; Bortoluzzi, Marco

Crystals (Basel), 2024-02, Vol.14 (2), p.162 [Periódico revisado por pares]

Basel: MDPI AG

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8
Physico-Chemical Characterization, DFT Modeling and Biological Activities of a New Zn (II) Complex Containing Melamine as a Template
Physico-Chemical Characterization, DFT Modeling and Biological Activities of a New Zn (II) Complex Containing Melamine as a Template
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Physico-Chemical Characterization, DFT Modeling and Biological Activities of a New Zn (II) Complex Containing Melamine as a Template

Salah, Thouraya ; Mhadhbi, Noureddine ; Ben Ahmed, Ali ; Hamdi, Besma ; Krayem, Najeh ; Loukil, Mohamed ; Guesmi, Ahlem ; Khezami, Lotfi ; Houas, Ammar ; Ben Hamadi, Naoufel ; Naïli, Houcine ; Costantino, Ferdinando

Crystals (Basel), 2023-04, Vol.13 (5), p.746 [Periódico revisado por pares]

Basel: MDPI AG

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9
Theoretical Investigation of Anhydrofusarubin: Structural and Optical Properties
Theoretical Investigation of Anhydrofusarubin: Structural and Optical Properties
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Theoretical Investigation of Anhydrofusarubin: Structural and Optical Properties

Pankin, Dmitrii ; Povolotckaia, Anastasia ; Smirnov, Mikhail ; Borisov, Evgenii ; Gulyaev, Anatoly ; Dorochov, Alexey ; Novikov, Vasiliy ; Kuznetsov, Sergey ; Noy, Oleg ; Belousov, Sergey ; Moskovskiy, Maksim

Crystals (Basel), 2023-10, Vol.13 (11), p.1556 [Periódico revisado por pares]

Basel: MDPI AG

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10
Incorporation of Iron(II) and (III) in Hydroxyapatite—A Theoretical Study
Incorporation of Iron(II) and (III) in Hydroxyapatite—A Theoretical Study
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Incorporation of Iron(II) and (III) in Hydroxyapatite—A Theoretical Study

Makshakova, Olga Nikolaevna ; Shurtakova, Daria Vladimirovna ; Vakhin, Alexey Vladimirovich ; Grishin, Peter Olegovich ; Gafurov, Marat Revgerovich

Crystals (Basel), 2021-10, Vol.11 (10), p.1219 [Periódico revisado por pares]

Basel: MDPI AG

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