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Crystal Structure, Hirshfeld Surface, Vibrational Study, Optical Properties and Biological Activities of a Novel Hybrid Material 2-Methylpiperazine-1, 4-Dium …
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Journal of Cluster Science,
2024 |
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[2]
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Synthesis, Structural Characterization, and Biological Evaluation of (E)-N-(4-Bromobenzylidene)-3-Methoxybenzohydrazide Monohydrate
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Substantia,
2024 |
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Synthesis, Structural confirmation, Hirshfeld surface analysis, DFT Mechanistic and ADMET Properties of (E)-N-(4-bromobenzylidene)-3-methoxybenzohydrazide …
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2023 |
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[4]
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One Pot Synthesis, Crystal Structure, Hirshfeld Studies, Docking Simulation and Antimicrobial Efficacy Assay of New Fused/Substituted Pyrazolinyl–Thiazolidinyl …
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Polycyclic Aromatic …,
2023 |
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[5]
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A correlative approach in 3D structures of potential Alzheimer disease inhibitors
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Journal of Molecular …,
2023 |
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[6]
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A Structural and In Silico Investigation of Potential CDC7 Kinase Enzyme Inhibitors
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Odayni… - ACS …,
2023 |
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Research Article Synthesis, Structural, Spectroscopic, and Hirshfeld Surface Analysis, and DFT Investigation of Benzaldehyde Semicarbazone
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2022 |
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[8]
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Stabilization of hexachloride net with mixed Sn (IV) metal complex and 2, 3-dimethylanilinium organic cation: Elaboration, optical, spectroscopic, computational …
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Chemical Papers,
2022 |
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[9]
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A potent anesthetic drug salt: experimental and computational studies
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Journal of Molecular …,
2022 |
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[10]
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Synthesis, Structural, Spectroscopic, and Hirshfeld Surface Analysis, and DFT Investigation of Benzaldehyde Semicarbazone
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Advances in Materials …,
2022 |
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Cu2+, Co2+, And Zn2+ Complex-es Involving Benzotriazol, Ethane-1, 2-Diamine And 4, 4'-Diaminocyclohexylmethane Ligands
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Ann Clin Med Case Rep,
2022 |
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[12]
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Synthesis, crystallographic structure, Hirshfeld Surface analysis, drug-likeness properties and molecular docking studies of new oxime-pyridine compounds
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2021 |
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[13]
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Crystal structure, mosquito larvicidal & antifungal activity of 3‑tert‑butyl‑7-(2, 3, 4-trimethoxyphenyl)-4H-[1, 3, 4] thiadiazolo [2, 3-c][1, 2, 4] triazin-4-one
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2021 |
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[14]
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Spectroscopic, quantum chemical, hydrogen bonding, reduced density gradient analysis and anti-inflammatory activity study on piper amide alkaloid piperine and …
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2021 |
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[15]
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Theoretical and experimental solid state studies of Ethyl 1-benzyl-2-(thiophen-3-yl)-1H-benzo [d] imidazole-5-carboxylate
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2020 |
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[16]
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Polymorph of trans-dichlorotetrakis (pyridine-N) ruthenium (II) influenced by a dihydrazone: crystal structure, spectral, Hirshfeld surfaces, antimicrobial, toxicity and in …
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2020 |
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[17]
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Crystal structure, Hirshfeld surfaces, topology, energy frameworks and dielectric studies of 1-(2-chlorophenyl)-3, 3-bis (methylthio) prop-2-en-1-one
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2020 |
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[18]
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One-pot synthesis, crystal structure, hirshfield, DFT and anticancer study of ethyl 2-(3-fluoro-4-methylphenyl)-1-propyl-1H-benzo [d] imidazole-5-carboxylate
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2020 |
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[19]
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Solid state and Computational studies of Ambroxol hydrochloride drug
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2020 |
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[20]
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A solid state analysis of metformin picrate salt
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2020 |
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[21]
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3D energy framework of a benzophenone acidic dimer
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2019 |
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[22]
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Tailor made biheterocyclic pyrazoline-thiazolidinones as effective inhibitors of Escherichia coli FabH: Design, synthesis and structural studies
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2019 |
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[23]
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Crystal, Hirshfeld, ADMET, drug-like and anticancer study of some newly synthesized imidazopyridine containing pyrazoline derivatives
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2019 |
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[24]
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Synthesis and kinetics of photochromic carboxy-substituted dithizonatophenylmercury (II)
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Journal of Photochemistry and Photobiology A: Chemistry,
2019 |
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[25]
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Crystal structure, Hirshfeld surfaces and biological studies of 4, 5-dihydro-1, 3, 4-oxadiazole-2-thiones
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2019 |
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[26]
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Synthesis, X-ray characterization, DFT studies and Hirshfeld surface analysis of new organic single crystal: 2-(4-Methoxyphenyl)-4-{[2'-(1H-tetrazol-5-yl) biphenyl-4-yl] …
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2019 |
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[27]
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3D energy frameworks of dimethylbenzophenone tetramorphs
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2019 |
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[28]
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Synthesis, Single‐Crystal X‐Ray, Hirshfeld and Antimicrobial Evaluation of some New Imidazopyridine Nucleus Incorporated with Oxadiazole Scaffold
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2018 |
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[29]
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Crystal structure, Hirshfeld surfaces computational study and physicochemical characterization of two new organic salts of 2-chlorobenzylamine,(ClC7H6NH3)· NO3 …
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Journal of Molecular Structure,
2018 |
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[30]
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Synthesis, Crystal structure and Hirshfeld surface of 2-Amino-3 Benzyloxy Pyridinium Picrate (1: 1)
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Chemical Data Collections,
2018 |
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[31]
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Synthesis, Crystal Structure studies and Hirshfeld surface analysis of novel 4-(4-(pyridin-2-ylmethyleneamino) benzyloxy)-5, 7-dimethyl-2H-chromen-2-one
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Chemical Data Collections,
2018 |
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[32]
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Efficient Synthesis and in Silico Studies of the Benzimidazole Hybrid Scaffold with the Quinolinyloxadiazole Skeleton with Potential α-Glucosidase Inhibitory …
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ACS Omega,
2018 |
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[33]
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Synthesis, Characterization, Crystal Structure, and Hirshfeld Surface Analysis of Ethyl 2-(4-bromophenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate
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Crystallography Reports,
2018 |
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[34]
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A Hirshfeld surface Analysis, crystal structure and physicochemical studies of a Cd (II) complex with the 4, 4′-dimethyl-2, 2′-dipyridyl ligand
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Chemical Data Collections,
2018 |
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[35]
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Hirshfeld Computational Analysis and Crystal Structure of 5-[3-(4-Nitrophenyl)-4, 5-dihydro-1, 2-oxazol-5-yl]-Methyl-5H-dibenzo-[b, f] azepine
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Der Pharma Chemica,
2018 |
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[36]
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Synthesis, Characterization, Molecular Docking Studies and Biological Evaluation of Some Conjugated Quinazoline‐Sulfonamide Scaffold
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2018 |
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[37]
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Crystal packing analysis of 1-(3, 4-dimethoxyphenyl)-3-(4-bromophenyl) prop-2-en-1-one exhibiting a putative halogen bond C Br⋯ O
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Journal of Molecular Structure,
2018 |
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[38]
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Crystal structure of 2, 3-dimethoxy-N-(4-nitrophenyl) benzamide
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2018 |
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[39]
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Cd (II) and Ni (II) complexes from aroyl hydrazones: Unravelling the intermolecular interactions and electronic, crystal structures through experimental and theoretical …
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Inorganica Chimica Acta,
2018 |
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[40]
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3D energy frameworks of 1, 3-dimethoxy-5-(4-((4-nitrobenzyl) oxy) styryl) benzene
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Journal of Molecular Structure,
2018 |
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[41]
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Synthesis, crystal structures and Hirshfeld surface studies of chalcone derivatives:(2E)-1-(4-2, 4-Dichlorophenyl)-3-[4-(propan-2-yl) phenyl] prop-2-en-1-one and (2E) …
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Chemical Data Collections,
2018 |
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[42]
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Synthesis, crystal structure and Hirshfeld surfaces of 1-(3, 4-dimethoxyphenyl)-3-(3-hydroxyphenyl) prop‑2-en-1-one
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Chemical Data Collections,
2018 |
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[43]
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(E)-N′-(4-nitrobenzylidene)-2-(1-(4-methoxyphenyl)-5-oxo-1H-1, 2, 4-triazol-4 (5H)-yl) acetohydrazide: Synthesis, crystal structure, DFT and Hirshfeld surface …
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Chemical Data Collections,
2018 |
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[44]
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Synthesis, characterization, crystal structure, Hirshfeld interaction and bio-evaluation studies of 4-amino quinazoline sulfonamide derivatives
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Journal of Molecular Structure,
2018 |
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[45]
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ANÁLISE ESTRUTURAL E TOPOLÓGICA DE METOXI-CHALCONAS COM POTENCIAL USO INDUSTRIAL
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Thesis,
2018 |
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[46]
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Design, synthesis and pharmacological studies of some new quinoline Schiff bases and 2, 5-(disubstituted-[1, 3, 4])-oxadiazoles
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New Journal of Chemistry,
2017 |
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[47]
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Supramolecular architectures in luminescent Zn(II) and Cd(II) complexes containing imidazole derivatives: Crystal structures, vibrational and thermal properties, Hirshfeld surface analysis and electrostatic potentials
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Journal of Molecular Structure,
2017 |
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[48]
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Synthesis, characterization, thermal analysis, crystal structure and Hirshfeld surface analysis of 2-(3, 5-difluorophenyl) quinoline-4-carboxylic acid
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Chemical Data Collections,
2017 |
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[49]
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Spectroscopic, single crystal X-ray, Hirshfeld, in vitro and in silico biological evaluation of a new series of potent thiazole nucleus integrated with pyrazoline scaffolds
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Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy,
2017 |
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[50]
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A Hirshfeld surface analysis, crystal structure and physicochemical studies of a new Cd (II) complex with the 2-amino-4-methylpyrimidine ligand
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Journal of Molecular Structure,
2017 |
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[51]
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A zero dimensional hybrid organic-inorganic perovskite ZnCl 4 based: Synthesis, crystal structure, UV–vis, and electronic properties
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Journal of Crystal Growth,
2017 |
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[52]
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Substitution effect on a hydroxylated chalcone: Conformational, topological and theoretical studies
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Journal of Molecular Structure,
2017 |
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[53]
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Ab Initio Prediction of the Stable Polymorphs of 4-amino-3, 5-dinitrobenzamide (DOPLOL)
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Croatica Chemica Acta,
2017 |
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[54]
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Spectral studies, crystal structure, molecular docking and Hirshfeld surfaces computational studies of 3-(3-Bromophenyl)-5-(4-methoxyphenyl) isoxazole
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Chemical Data Collections,
2017 |
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[55]
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Crystal structure, Hirshfeld surfaces computational study and physicochemical characterization of the hybrid material (C7H10N)2 …
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Journal of Molecular Structure,
2017 |
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[56]
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A new thiamine functionalized silica microparticules as a sorbent for removal of lead, mercury and cadmium ions in aqueous media
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2016 |
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[57]
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Ab initio prediction of polymorphic structures of pyrazinamide: A validation study
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Journal of the Serbian Chemical Society,
2016 |
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[58]
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Ab initio prediction of polymorphic structures of Pyrazinamide-a validation study
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J. Serb. Chem. Soc.,
2016 |
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[59]
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Degradation of chlorpyrifos in contaminated soil by immobilized laccase
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2016 |
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[60]
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A comparison studies of Dibenzoazepine derivatives and their Hirshfeld surface analysis
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J. Mater. Environ. Sci.,
2016 |
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[61]
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Crystal structure, Spectral studies and Hirshfeld surfaces analysis of 5-Methyl-5H-dibenzo [b, f] azepine and 5-(4-Methylbenzyl)-5H-dibenzo [b, f] azepine
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Journal of Crystallography,
2014 |
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[62]
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A Correlative Approach in Accurate 3D Structures of Potential Alzheimer Disease Inhibitors
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