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Likelihood of atom-atom contacts in crystal structures of halogenated organic compounds

IUCrJ, 2015-05, Vol.2 (Pt 3), p.327-340

2015

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A Hirshfeld surface analysis, crystal structure, and physicochemical studies of a new Cu(II) complex with the 1,10-phenanthroline ligand

Journal of coordination chemistry, 2018-09, Vol.71 (16-18), p.2526-2539

2018

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Synthesis, crystal structure determination, DFT calculation, and Hirshfeld surface analysis of a new Zn(II) complex with the guaninium ligand

Journal of coordination chemistry, 2020-11, Vol.73 (24), p.3307-3321

2020

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A new Hg(II) hybrid compound (C6H9N2)[Hg6Cl13]·H2O elaboration, crystal structure, spectroscopic, thermal, and DFT theoretical calculations

Chemical papers, 2022-04, Vol.76 (4), p.2327-2340

2022

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Stabilization of Tetrachloride with Mn (II) and Co (II)Complexes and 4-Tert-Butylpyridinium Organic Cation: Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analyses

Crystals (Basel), 2022-02, Vol.12 (2), p.140

2022

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A copper(II) aminopyrimidinone complex: X-ray crystallography, computational analysis, dielectric spectroscopy and molecular docking

Journal of coordination chemistry, 2024-03, Vol.77 (5-6), p.525-542

2024

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Single crystal X-ray diffraction analysis, spectroscopic measurement, quantum chemical studies, antimicrobial potency and molecular docking of a new [Co(NCS)4]2(C6H17N3)2·4H2O coordination compound based on piperazine-thiocyanate as co-ligand

Journal of molecular structure, 2024-02, Vol.1298, p.136997, Article 136997

2024

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Investigation on crystal structure, spectral FT-IR analysis, DFT and molecular docking studies of a novel complex with the N′-(pyridin-2-ylmethylene)nicotinohydrazide

Journal of molecular structure, 2022-12, Vol.1269, p.133741, Article 133741

2022

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Elaboration and physicochemical elucidation of two organic cation hydrogensulfates: 2-Fluroanilinium (hydrogensulfate) monohydrate (I) and 2,6-dimethylanilinium (hydrogensulfate) monohydrate (II)

Journal of molecular structure, 2021-04, Vol.1229, p.129578, Article 129578

2021

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Elaboration, crystal structure, physico-chemical characterization and theoretical investigation of a new non-centrosymmetric Sn(IV) complex (C4H12N2)[SnCl6]·3H2O

Journal of molecular structure, 2020-09, Vol.1216, p.128296, Article 128296

2020

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Hirshfeld surface analysis, crystal structure and physicochemical studies of a new Zn(II) complex with the 2,6-dimethylpyrimidin-4-(1H)-one ligand

Solid state sciences, 2020-03, Vol.101, p.106119-119, Article 106119

2020

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Bis(2-amino-4-methyl-6-oxo-3,6-di-hydro-pyrimidin-1-ium) sulfate monohydrate

Acta crystallographica. Section E, Structure reports online, 2014-07, Vol.70 (Pt 7), p.o747-o748

2014

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Elaboration, crystal structure, characterization and DFT calculation of a new Hg(II) inorganic-organic hybrid salt [C6H16N2O]HgCl4

Journal of solid state chemistry, 2020-06, Vol.286, p.121280, Article 121280

2020

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Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products

RSC advances, 2021-02, Vol.11 (11), p.6312-6329

2021

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Synthesis, physico-chemical studies and Hirshfeld surface analysis of a first 0-D Chlorozincophosphate, (H2N(CH2)4NH(CH2)2NH3Cl)ZnCl2(HPO4)

Journal of materials science. Materials in electronics, 2018-08, Vol.29 (15), p.12707-12717

2018

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Crystal structure, Hirshfeld surface analysis and physicochemical studies of two new Cu(II) complexes with the ligand 2-amino-6-methylpyrimidin-4-(1H)-one

Inorganica Chimica Acta, 2020-03, Vol.502, p.119289, Article 119289

2020

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High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material

Scientific reports, 2023-07, Vol.13 (1), p.10837-20, Article 10837

2023

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Synthesis, crystal structure, computational studies and spectroscopic characterization of a hybrid material self-assembly from tetra(isothiocyanate)cobalt(II) anion and 1-(4-methoxyphenyl)piperazinium

Journal of molecular structure, 2021-04, Vol.1230, p.129929, Article 129929

2021

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The Coordination Behavior of Two New Complexes, [(C 7 H 10 NO 2 )CdCl 3 ] n (I) and [(C 7 H 9 NO 2 )CuCl 2 ] (II), Based on 2,6-Dimethanolpyridine; Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analysis

Materials, 2022-02, Vol.15 (5), p.1624

2022

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Elaboration, crystal structure, vibrational, optical properties, thermal analysis and theoretical study of a new inorganic-organic hybrid salt [C4H12N2]4·Pb2Cl11·Cl·4H2O

Journal of molecular structure, 2020-07, Vol.1211, p.128056, Article 128056

2020

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Case of Charge-Assisted Hydrogen Bonding in the Crystal Structure of Sodium Laurate, Lauric Acid

Journal of chemical crystallography, 2023-03, Vol.53 (1), p.93-104

2023

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Synthesis, structural elucidation, characterization and theoretical DFT study of 1‐(o‐tolyl)biguanidium chloride

Acta crystallographica. Section C, Crystal structure communications, 2020-06, Vol.76 (6), p.572-578

2020

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Structural, Surface Interactions, Physicochemical, and Molecular Docking Evaluation of a New Hybrid 4-Chloroanilinium Trichloromercurate (II) Hybrid Material

Journal of cluster science, 2024-06, Vol.35 (5), p.1161-1174

2024

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A New Zn(II) Metal Hybrid Material of 5-Nitrobenzimidazolium Organic Cation (C 7 H 6 N 3 O 2 ) 2 [ZnCl 4 ]: Elaboration, Structure, Hirshfeld Surface, Spectroscopic, Molecular Docking Analysis, Electric and Dielectric Properties

Materials, 2022-11, Vol.15 (22), p.7973

2022

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Stabilization of hexachloride net with mixed Sn(IV) metal complex and 2,3-dimethylanilinium organic cation: elaboration, optical, spectroscopic, computational studies and thermal analysis

Chemical papers, 2022-03, Vol.76 (3), p.1861-1873

2022

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Likelihood of atom-atom contacts in crystal structures of halogenated organic compounds

A Hirshfeld surface analysis, crystal structure, and physicochemical studies of a new Cu(II) complex with the 1,10-phenanthroline ligand

Synthesis, crystal structure determination, DFT calculation, and Hirshfeld surface analysis of a new Zn(II) complex with the guaninium ligand

A new Hg(II) hybrid compound (C6H9N2)[Hg6Cl13]·H2O elaboration, crystal structure, spectroscopic, thermal, and DFT theoretical calculations

Stabilization of Tetrachloride with Mn (II) and Co (II)Complexes and 4-Tert-Butylpyridinium Organic Cation: Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analyses

A copper(II) aminopyrimidinone complex: X-ray crystallography, computational analysis, dielectric spectroscopy and molecular docking

Single crystal X-ray diffraction analysis, spectroscopic measurement, quantum chemical studies, antimicrobial potency and molecular docking of a new [Co(NCS)4]2(C6H17N3)2·4H2O coordination compound based on piperazine-thiocyanate as co-ligand

Investigation on crystal structure, spectral FT-IR analysis, DFT and molecular docking studies of a novel complex with the N′-(pyridin-2-ylmethylene)nicotinohydrazide

Elaboration and physicochemical elucidation of two organic cation hydrogensulfates: 2-Fluroanilinium (hydrogensulfate) monohydrate (I) and 2,6-dimethylanilinium (hydrogensulfate) monohydrate (II)

Elaboration, crystal structure, physico-chemical characterization and theoretical investigation of a new non-centrosymmetric Sn(IV) complex (C4H12N2)[SnCl6]·3H2O

Hirshfeld surface analysis, crystal structure and physicochemical studies of a new Zn(II) complex with the 2,6-dimethylpyrimidin-4-(1H)-one ligand

Bis(2-amino-4-methyl-6-oxo-3,6-di-hydro-pyrimidin-1-ium) sulfate monohydrate

Elaboration, crystal structure, characterization and DFT calculation of a new Hg(II) inorganic-organic hybrid salt [C6H16N2O]HgCl4

Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products

Synthesis, physico-chemical studies and Hirshfeld surface analysis of a first 0-D Chlorozincophosphate, (H2N(CH2)4NH(CH2)2NH3Cl)ZnCl2(HPO4)

Crystal structure, Hirshfeld surface analysis and physicochemical studies of two new Cu(II) complexes with the ligand 2-amino-6-methylpyrimidin-4-(1H)-one

High throughput computations of the effective removal of liquified gases by novel perchlorate hybrid material

Synthesis, crystal structure, computational studies and spectroscopic characterization of a hybrid material self-assembly from tetra(isothiocyanate)cobalt(II) anion and 1-(4-methoxyphenyl)piperazinium

The Coordination Behavior of Two New Complexes, [(C 7 H 10 NO 2 )CdCl 3 ] n (I) and [(C 7 H 9 NO 2 )CuCl 2 ] (II), Based on 2,6-Dimethanolpyridine; Elaboration of the Structure and Hirshfeld Surface, Optical, Spectroscopic and Thermal Analysis

Elaboration, crystal structure, vibrational, optical properties, thermal analysis and theoretical study of a new inorganic-organic hybrid salt [C4H12N2]4·Pb2Cl11·Cl·4H2O

Case of Charge-Assisted Hydrogen Bonding in the Crystal Structure of Sodium Laurate, Lauric Acid

Synthesis, structural elucidation, characterization and theoretical DFT study of 1‐(o‐tolyl)biguanidium chloride

Structural, Surface Interactions, Physicochemical, and Molecular Docking Evaluation of a New Hybrid 4-Chloroanilinium Trichloromercurate (II) Hybrid Material

A New Zn(II) Metal Hybrid Material of 5-Nitrobenzimidazolium Organic Cation (C 7 H 6 N 3 O 2 ) 2 [ZnCl 4 ]: Elaboration, Structure, Hirshfeld Surface, Spectroscopic, Molecular Docking Analysis, Electric and Dielectric Properties

Stabilization of hexachloride net with mixed Sn(IV) metal complex and 2,3-dimethylanilinium organic cation: elaboration, optical, spectroscopic, computational studies and thermal analysis

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