Computational Evaluation of Molecular Structures and Spectroscopic Properties of Tryptamine Derivatives on Its Binding With Novel Corona Virus Proteins

Polycyclic Aromatic Compounds ◽

10.1080/10406638.2021.2006248 ◽

2021 ◽

pp. 1-10

Author(s):

Jamelah S. Al-Otaibi ◽

Y. Sheena Mary ◽

Y. Shyma Mary ◽

K. S. Resmi

Keyword(s):

Spectroscopic Properties ◽

Molecular Structures ◽

Computational Evaluation ◽

Corona Virus ◽

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Computational investigation of molecular structures, spectroscopic properties, cholinesterase inhibition and antibacterial activities of triazole Schiff bases endowed metal chelates

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130382 ◽

2021 ◽

Vol 1238 ◽

pp. 130382

Author(s):

Sajjad Hussain Sumrra ◽

Wardha Zafar ◽

Muhammad Luqman Asghar ◽

Fazila Mushtaq ◽

Muhammad Asam Raza ◽

...

Keyword(s):

Schiff Bases ◽

Spectroscopic Properties ◽

Antibacterial Activities ◽

Metal Chelates ◽

Molecular Structures ◽

Cholinesterase Inhibition ◽

Computational Investigation

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N-salicylideneamino acidate complexes of oxovanadium(IV). Part 1. Crystal and molecular structures and spectroscopic properties

Journal of the Chemical Society Dalton Transactions ◽

10.1039/dt9940000149 ◽

1994 ◽

pp. 149 ◽

Author(s):

Isabel Cavaco ◽

Jo�o Costa Pessoa ◽

Dina Costa ◽

Maria T. Duarte ◽

Robert D. Gillard ◽

...

Keyword(s):

Spectroscopic Properties ◽

Molecular Structures ◽

Crystal And Molecular Structures

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Analysis of Molecular Structures, Spectroscopic Properties (FT-IR, Micro-Raman and UV-vis.) and Quantum Chemical Calculations of Free and Ligand Dimethyl Phenylphosphonite in Cd(II) Halide Complex

Canadian Chemical Transactions ◽

10.13179/canchemtrans.2014.02.02.0092 ◽

2014 ◽

pp. 175-189

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Spectroscopic Properties ◽

Molecular Structures ◽

Halide Complex ◽

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ChemInform Abstract: The Syntheses, Molecular Structures, Spectroscopic Properties (IR, Micro-Raman, NMR and UV-vis) and DFT Calculations of Antioxidant 3-Alkyl-4- [3-methoxy-4-(4-methylbenzoxy)benzylidenamino] -4,5-dihydro-1H-1,2,4-triazol-5-one Molecule

10.1002/chin.201348151 ◽

2013 ◽

Vol 44 (48) ◽

pp. no-no

Author(s):

Halil Goekce ◽

Semiha Bahceli ◽

Onur Akyildirim ◽

Haydar Yuesek ◽

Oezlem Guersoy Kol

Keyword(s):

Dft Calculations ◽

Spectroscopic Properties ◽

Molecular Structures

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Theoretical Study for the Molecular Structures and Spectroscopic Properties of Various C7H7+Isomers and Transition States Between Them

Journal of the Korean Chemical Society ◽

10.5012/jkcs.2005.49.3.247 ◽

2005 ◽

Vol 49 (3) ◽

pp. 247-254 ◽

Author(s):

Chang-Ho Shin ◽

Seung-Joon Kim

Keyword(s):

Theoretical Study ◽

Transition States ◽

Spectroscopic Properties ◽

Molecular Structures

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Computational investigation of molecular structures, spectroscopic properties and antitumor-antibacterial activities of some Schiff bases

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2020.118829 ◽

2021 ◽

Vol 244 ◽

pp. 118829 ◽

Author(s):

Serpil Kaya ◽

Sultan Erkan ◽

Duran Karakaş

Keyword(s):

Schiff Bases ◽

Spectroscopic Properties ◽

Antibacterial Activities ◽

Molecular Structures ◽

Computational Investigation

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Dibromine Monoxide, Br2O, and Bromine Dioxide, OBrO: Spectroscopic Properties, Molecular Structures, and Harmonic Force Fields

Angewandte Chemie International Edition in English ◽

10.1002/anie.199621291 ◽

1996 ◽

Vol 35 (18) ◽

pp. 2129-2131 ◽

Author(s):

Holger S. P. Müller ◽

Charles E. Miller ◽

Edward A. Cohen

Keyword(s):

Force Fields ◽

Spectroscopic Properties ◽

Molecular Structures ◽

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DFT meets the segmented polarization consistent basis sets: Performances in the computation of molecular structures, rotational and vibrational spectroscopic properties

Journal of Molecular Structure ◽

10.1016/j.molstruc.2020.127886 ◽

2020 ◽

Vol 1208 ◽

pp. 127886 ◽

Author(s):

Rahma Boussessi ◽

Giorgia Ceselin ◽

Nicola Tasinato ◽

Vincenzo Barone

Keyword(s):

Spectroscopic Properties ◽

Molecular Structures ◽

Consistent Basis

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Aromatic [b]-fused BODIPY dyes as promising near-infrared dyes

Organic & Biomolecular Chemistry ◽

10.1039/d0ob00790k ◽

2020 ◽

Vol 18 (22) ◽

pp. 4135-4156 ◽

Author(s):

Jun Wang ◽

Noël Boens ◽

Lijuan Jiao ◽

Erhong Hao

Keyword(s):

Near Infrared ◽

Optoelectronic Devices ◽

Spectroscopic Properties ◽

Molecular Structures ◽

Design And Synthesis

This review describes aromatic [b]-fused BODIPY dyes with the focus on design and synthesis, the relationships between their photophysical/spectroscopic properties and molecular structures, and potential uses in bioassays and optoelectronic devices.

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Bonding properties of Cu(II)N chromophores: preparation, structure and spectroscopic properties of mixed ligand 2,2′:6′,2″-terpyridine copper(II) complexes. Molecular structures of [Cu(terpyridine)(4-methylimidazole)(H2O)(BF4)] (BF4) and [Cu(terpyridine)(3-methylpyridine)(BF4)2)]

10.1016/s0277-5387(00)81690-3 ◽

1994 ◽

Vol 13 (5) ◽

pp. 825-834 ◽

Author(s):

Chan-Cheng Su ◽

Chen-Bor Li

Keyword(s):

Spectroscopic Properties ◽

Mixed Ligand ◽

Molecular Structures ◽

Bonding Properties

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