nSynthesis, Crystal Structure and Electronic Applications of Monocarboxylic Acid Substituted Phthalonitrile Derivatives Combined with DFT studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130545 ◽

2021 ◽

pp. 130545

Author(s):

Gülenay Tunç ◽

Betül Canımkurbey ◽

Burcu Dedeoğlu ◽

Yunus Zorlu ◽

Serpil Eryılmaz ◽

...

Keyword(s):

Crystal Structure ◽

Monocarboxylic Acid ◽

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Crystal structure, characterization, Hirshfeld surface analysis and DFT studies of two [propane 3-bromo-1-(triphenyl phosphonium)] cations containing bromide (I) and tribromide (II) anions: The anion (II) as a new brominating agent for unsaturated compounds

Journal of Molecular Structure ◽

10.1016/j.molstruc.2019.05.127 ◽

2019 ◽

Vol 1195 ◽

pp. 542-554 ◽

Author(s):

Seyed Reza Nokhbeh ◽

Mostafa Gholizadeh ◽

Alireza Salimi ◽

Hazel A. Sparkes

Keyword(s):

Crystal Structure ◽

Surface Analysis ◽

Hirshfeld Surface ◽

Structure Characterization ◽

Hirshfeld Surface Analysis ◽

Dft Studies ◽

Unsaturated Compounds ◽

Triphenyl Phosphonium ◽

Phosphonium Cations

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Photochemical Reaction of Mo(CO)6with Et2GeH2: NMR and DFT Studies of Reaction Products; Crystal Structure of a Novel Complex [{Mo(μ-η2-H−GeEt2)(CO)4}2]

Organometallics ◽

10.1021/om900299k ◽

2009 ◽

Vol 28 (20) ◽

pp. 5857-5865 ◽

Author(s):

Magdalena Zyder ◽

Andrzej Kochel ◽

Jarosław Handzlik ◽

Teresa Szymańska-Buzar

Keyword(s):

Crystal Structure ◽

Photochemical Reaction ◽

Dft Studies ◽

Reaction Products ◽

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Synthesis, crystal structure, vibrational profiling, DFT studies and molecular docking of N -(4-chloro-2-{[2-(1 H -indol-2-ylcarbonyl) hydrazinyl](oxo)acetyl}phenyl)acetamide.DMSO: A new antiproliferative agent

Journal of Molecular Structure ◽

10.1016/j.molstruc.2017.10.116 ◽

2018 ◽

Vol 1155 ◽

pp. 457-468 ◽

Author(s):

Reem I. Al-Wabli ◽

Asmaa Salman ◽

V. Shyni ◽

Hazem A. Ghabbour ◽

I. Hubert Joe ◽

...

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Dft Studies ◽

Antiproliferative Agent

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Synthesis, spectroscopic characterization, crystal structure, theoretical (DFT) studies and molecular docking analysis of biologically potent isopropyl 5-chloro-2-hydroxy-3-oxo-2,3-dihydrobenzofuran-2-carboxylate

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2021.2024041 ◽

2022 ◽

pp. 1-22

Author(s):

Varun Sharma ◽

Indrajit Karmakar ◽

Goutam Brahmachari ◽

Vivek Kumar Gupta

Keyword(s):

Crystal Structure ◽

Molecular Docking ◽

Spectroscopic Characterization ◽

Dft Studies ◽

Docking Analysis ◽

Molecular Docking Analysis

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Synthesis, crystal structure investigation, DFT studies and DPPH radical scavenging activity of 1-(furan-2-ylmethyl)-2,4,5-triphenyl- 1H -imidazole derivatives

Journal of Molecular Structure ◽

10.1016/j.molstruc.2015.11.084 ◽

2016 ◽

Vol 1108 ◽

pp. 698-707 ◽

Author(s):

D. Rajaraman ◽

G. Sundararajan ◽

R. Rajkumar ◽

S. Bharanidharan ◽

K. Krishnasamy

Keyword(s):

Crystal Structure ◽

Radical Scavenging Activity ◽

Radical Scavenging ◽

Scavenging Activity ◽

Dft Studies ◽

Dpph Radical ◽

Structure Investigation ◽

Dpph Radical Scavenging Activity ◽

Imidazole Derivatives ◽

Dpph Radical Scavenging

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Hirshfeld surface, crystal structure and spectroscopic characterization of (E)-4-(diethylamino)-2-((4-phenoxyphenylimino)methyl)phenol with DFT studies

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.11.001 ◽

2019 ◽

Vol 1179 ◽

pp. 181-191 ◽

Author(s):

Sibel Demir Kanmazalp ◽

Mustafa Macit ◽

Necmi Dege

Keyword(s):

Crystal Structure ◽

Spectroscopic Characterization ◽

Hirshfeld Surface ◽

Dft Studies ◽

Surface Crystal

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Synthesis, Crystal Structure, Spectra Characterization and DFT Studies on a Di-Cycle Pyrazoline Derivative

Bulletin of the Korean Chemical Society ◽

10.5012/bkcs.2010.31.7.1875 ◽

2010 ◽

Vol 31 (7) ◽

pp. 1875-1880 ◽

Author(s):

Jie Song ◽

Pu Su Zhao ◽

Wei Guang Zhang

Keyword(s):

Crystal Structure ◽

Dft Studies ◽

Pyrazoline Derivative

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Mononuclear, tetranuclear and polymeric cadmium(II) complexes with the 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine ligand: Synthesis, crystal structure, spectroscopic and DFT studies

10.1016/j.poly.2016.08.030 ◽

2016 ◽

Vol 119 ◽

pp. 160-174 ◽

Author(s):

Lotfali Saghatforoush ◽

Zeinab Khoshtarkib ◽

Hassan Keypour ◽

Mohammad Hakimi

Keyword(s):

Crystal Structure ◽

Dft Studies ◽

Ligand Synthesis

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Novel 1,4-naphthoquinone N-aroylthioureas: Syntheses, crystal structure, anion recognition properties, DFT studies and determination of acid dissociation constants

Journal of Molecular Liquids ◽

10.1016/j.molliq.2018.08.054 ◽

2018 ◽

Vol 269 ◽

pp. 920-932 ◽

Author(s):

Müge Gemili ◽

Yahya Nural ◽

Ergin Keleş ◽

Burcu Aydıner ◽

Nurgül Seferoğlu ◽

...

Keyword(s):

Crystal Structure ◽

Dissociation Constants ◽

Anion Recognition ◽

Acid Dissociation ◽

Dft Studies ◽

Acid Dissociation Constants

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Nickel(II) complex with an asymmetric tetradentate Schiff base ligand: synthesis, characterization, crystal structure, and DFT studies

Journal of Coordination Chemistry ◽

10.1080/00958972.2018.1521967 ◽

2018 ◽

Vol 71 (22) ◽

pp. 3748-3762 ◽

Author(s):

Vajiheh Torabi ◽

Hadi Kargar ◽

Alireza Akbari ◽

Reza Behjatmanesh-Ardakani ◽

Hadi Amiri Rudbari ◽

...

Keyword(s):

Crystal Structure ◽

Schiff Base ◽

Schiff Base Ligand ◽

Dft Studies ◽

Tetradentate Schiff Base ◽

Ligand Synthesis

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