Raman and Infrared Spectroscopy, DFT Calculations, and Vibrational Assignment of the Anticancer Agent Picoplatin: Performance of Long-Range Corrected/Hybrid Functionals for a Platinum(II) Complex

2014 ◽  
Vol 118 (34) ◽  
pp. 6922-6934 ◽  
Author(s):  
Magdalena Malik ◽  
Rafał Wysokiński ◽  
Wiktor Zierkiewicz ◽  
Katarzyna Helios ◽  
Danuta Michalska
Keyword(s):  
Infrared Spectroscopy ◽  
Dft Calculations ◽  
Long Range ◽  
Anticancer Agent ◽  
Vibrational Assignment ◽  
Raman And Infrared Spectroscopy ◽  
Hybrid Functionals

scholarly journals Vibrational spectroscopic studies and DFT calculations on NaCH3CO2(aq) and CH3COOH(aq)

2014 ◽  
Vol 43 (8) ◽  
pp. 3174-3185 ◽  
Author(s):  
Wolfram W. Rudolph ◽  
Dieter Fischer ◽  
Gert Irmer
Keyword(s):  
Infrared Spectroscopy ◽  
Dft Calculations ◽  
Spectroscopic Studies ◽  
Large Concentration ◽  
Terahertz Region ◽  
Raman And Infrared Spectroscopy

NaCH3CO2(aq) and CH3COOH(aq) were studied using Raman and infrared spectroscopy over a large concentration range, in the terahertz region and up to 4000 cm−1. Band assignments for CH3CO2−(aq) and CH3COOH(aq) were carried out under guidance of DFT frequencies.

Biochemical differences in tumorigenic and nontumorigenic cells measured by Raman and infrared spectroscopy

2005 ◽  
Vol 10 (3) ◽  
pp. 031106 ◽  
Author(s):  
Judith R. Mourant ◽  
Kurt W. Short ◽  
Susan Carpenter ◽  
Nagapratima Kunapareddy ◽  
Leslie Coburn ◽  
...  
Keyword(s):  
Infrared Spectroscopy ◽  
Raman And Infrared Spectroscopy

Sequential microhydration of cationic 5-hydroxyindole (5HI+): infrared photodissociation spectra of 5HI+–Wn clusters (W = H2O, n ≤ 4)

2018 ◽  
Vol 20 (5) ◽  
pp. 3092-3108 ◽  
Author(s):  
Johanna Klyne ◽  
Mitsuhiko Miyazaki ◽  
Masaaki Fujii ◽  
Otto Dopfer
Keyword(s):  
Hydrogen Bonding ◽  
Infrared Spectroscopy ◽  
Dft Calculations ◽  
Bonding Properties

The hydrogen-bonding properties of the acidic OH and NH groups of the 5-hydroxyindole cation are probed by infrared spectroscopy and DFT calculations of its microhydrated clusters.

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