Synthesis and DFT Computations on Structural, Electronic and Vibrational Spectra, RDG Analysis and Molecular Docking of novel Anti COVID-19 molecule 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131165 ◽

2021 ◽

pp. 131165

Author(s):

X.D. Divya Dexlin ◽

J.D. Deephlin Tarika ◽

S. Madhan Kumar ◽

A. Mariappan ◽

T. Joselin Beaula

Keyword(s):

Molecular Docking ◽

Vibrational Spectra ◽

Dft Computations ◽

Electronic And Vibrational Spectra ◽

Rdg Analysis

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Electronic and vibrational spectra of III-VI layered semiconductors

Uspekhi Fizicheskih Nauk ◽

10.3367/ufnr.0140.198306b.0233 ◽

1983 ◽

Vol 140 (6) ◽

pp. 233 ◽

Cited By ~ 21

Author(s):

G.L. Belen'kii ◽

V.B. Stopachinskii

Keyword(s):

Vibrational Spectra ◽

Layered Semiconductors ◽

Electronic And Vibrational Spectra

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Vibrational Spectra, Quantum Mechanical Calculations and Molecular Docking Analysis of (2E,4E,6E,8E)-9- (4-Methoxy-2,3,6-Trimethylphenyl)-3,7-Dimethylnona-2,4,6,8-Tetraenoic Acid

Journal of Chemistry and Chemical Sciences ◽

10.29055/jccs/573 ◽

2018 ◽

Vol 8 (2) ◽

pp. 178-198

Author(s):

P. Chakkaravarthy ◽

S. Syed Shafi

Keyword(s):

Molecular Docking ◽

Vibrational Spectra ◽

Quantum Mechanical ◽

Quantum Mechanical Calculations ◽

Tetraenoic Acid ◽

Docking Analysis ◽

Molecular Docking Analysis

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Interpretations of electronic and vibrational spectra of flexible and solvated peptides

Collection Symposium Series ◽

10.1135/css200709090 ◽

2007 ◽

Author(s):

Jiří Šebek ◽

Josef Kapitán ◽

Petr Bouř

Keyword(s):

Vibrational Spectra ◽

Electronic And Vibrational Spectra

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Exploring the Antibacterial Activity of 1, 2 Diaminoethane Hexanedionic Acid by Spectroscopic, Electronic, ELF, LOL, RDG Analysis and Molecular Docking Studies using DFT method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131388 ◽

2021 ◽

pp. 131388

Author(s):

C. Dabora Vincy ◽

J. D. Deephlin Tarika ◽

X.D. Divya Dexlin ◽

A. Rathika ◽

T. Joselin Beaula

Keyword(s):

Antibacterial Activity ◽

Molecular Docking ◽

Dft Method ◽

Docking Studies ◽

Molecular Docking Studies ◽

Rdg Analysis

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Different Effect of Solvent on Electronic and Vibrational Spectra

Recent Progress in Computational Sciences and Engineering ◽

10.1201/9780429070655-60 ◽

2019 ◽

pp. 245-247

Author(s):

Josef Kapitán ◽

Jiří Šebek ◽

Petr Bouř

Keyword(s):

Vibrational Spectra ◽

Effect Of Solvent ◽

Electronic And Vibrational Spectra

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Electronic and vibrational spectra of III-VI layered semiconductors

Soviet Physics Uspekhi ◽

10.1070/pu1983v026n06abeh004420 ◽

1983 ◽

Vol 26 (6) ◽

pp. 497-517 ◽

Cited By ~ 6

Author(s):

G L Belen'kiĭ ◽

V B Stopachinskiĭ

Keyword(s):

Vibrational Spectra ◽

Layered Semiconductors ◽

Electronic And Vibrational Spectra

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Study of polymorphism in imatinib mesylate: A quantum chemical approach using electronic and vibrational spectra

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.10.066 ◽

2013 ◽

Vol 103 ◽

pp. 325-332 ◽

Cited By ~ 13

Author(s):

Anubha Srivastava ◽

B.D. Joshi ◽

Poonam Tandon ◽

A.P. Ayala ◽

A.K. Bansal ◽

...

Keyword(s):

Imatinib Mesylate ◽

Vibrational Spectra ◽

Quantum Chemical ◽

Chemical Approach ◽

Electronic And Vibrational Spectra ◽

Quantum Chemical Approach

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Electronic and vibrational spectra and thermodynamic functions of di-halogentoluenes

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(84)80096-3 ◽

1984 ◽

Vol 40 (8) ◽

pp. 723-732 ◽

Cited By ~ 9

Author(s):

R.K. Goel

Keyword(s):

Thermodynamic Functions ◽

Vibrational Spectra ◽

Electronic And Vibrational Spectra

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Comparison of the electronic and vibrational spectra of complexes of protoporphyrin-IX, hemeoctapeptide, and heme proteins

Coordination Chemistry Reviews ◽

10.1016/0010-8545(88)80030-4 ◽

1988 ◽

Vol 84 ◽

pp. 1-45 ◽

Cited By ~ 31

Author(s):

John W. Owens ◽

Charles J. O'Connor

Keyword(s):

Vibrational Spectra ◽

Heme Proteins ◽

Protoporphyrin Ix ◽

Electronic And Vibrational Spectra

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A DFT/TD-DFT study of thiazolidinedione derivative in dimethylformamide: Cooperative roles of hydrogen bondings, electronic and vibrational spectra

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.01.094 ◽

2014 ◽

Vol 125 ◽

pp. 131-137 ◽

Cited By ~ 12

Author(s):

Dandan Wang ◽

Rui Lü ◽

Minghu Yuan ◽

Aiping Fu ◽

Tianshu Chu

Keyword(s):

Vibrational Spectra ◽

Dft Study ◽

Td Dft ◽

Electronic And Vibrational Spectra ◽

Hydrogen Bondings

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