Raman Spectroscopic and Theoretical Study of Scandium Fluoride and Oxyfluoride Anions in Molten FLiNaK

2020 ◽  
Vol 124 (30) ◽  
pp. 6671-6678 ◽  
Author(s):  
Chenyang Wang ◽  
Xiuting Chen ◽  
Rui Wei ◽  
Yu Gong
Keyword(s):  
Theoretical Study ◽  
Raman Spectroscopic

A novel Raman spectroscopic approach to identify polymorphism in leflunomide: a combined experimental and theoretical study

2015 ◽  
Vol 47 (4) ◽  
pp. 468-475 ◽  
Author(s):  
Poornima Sharma ◽  
Debraj Gangopadhyay ◽  
Sima Umrao ◽  
Shiv Kumar ◽  
A. K. Ghosh ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Raman Spectroscopic

Hydration of L-tyrosine in Aqueous Solution. An FT-IR and Raman Spectroscopic and Theoretical Study

2010 ◽  
Author(s):  
Ana E. Ledesma ◽  
Christian D. Contreras ◽  
Hernán E. Lanús ◽  
Silvia A. Brandán ◽  
P. M. Champion ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Theoretical Study ◽  
Raman Spectroscopic ◽  
Ft Ir ◽  
Ir And Raman

Raman spectroscopic and DFT theoretical study of 4-(2-pyridylazo)resorcinol and its complexes with zinc(II) and copper(II)

2009 ◽  
Vol 919 (1-3) ◽  
pp. 94-99 ◽  
Author(s):  
Nicolae Leopold ◽  
László Szabó ◽  
Adrian Pîrnău ◽  
Mihaela Aluaş ◽  
Loredana F. Leopold ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Raman Spectroscopic

Solid-state vibrational spectra and theoretical study of alaninamide acetate

2007 ◽  
Vol 61 (6) ◽  
Author(s):  
T. Kolev
Keyword(s):  
Solid State ◽  
Nmr Spectra ◽  
Theoretical Study ◽  
Solid Phase ◽  
Vibrational Analysis ◽  
Spectroscopic Properties ◽  
13C Nmr Spectra ◽  
1H And 13C Nmr ◽  
Raman Spectroscopic ◽  
Ir And Raman

AbstractSolid-state IR and Raman spectroscopic elucidation of alaninamide acetate is preformed by means of the possibilities of linear-polarized IR and Raman methods. The experimental assignment is compared with theoretical vibrational analysis with the intention to explain the influence of intermolecular interactions in solid phase on the spectroscopic properties of the compound studied. The 1H and 13C NMR spectra in solution are compared with the corresponding ones of alanine, studying the amidation effect on the chemical shift signals in the alanine moieties.

Argon matrix Raman spectroscopic and aggregation model density function theoretical study of methyl isothiocyanate

2019 ◽  
Vol 50 (8) ◽  
pp. 1217-1225 ◽  
Author(s):  
Maozhu Liu ◽  
Yanying Zhao ◽  
Fengqi Wu ◽  
Huigang Wang ◽  
Xuming Zheng
Keyword(s):  
Density Function ◽  
Theoretical Study ◽  
Methyl Isothiocyanate ◽  
Argon Matrix ◽  
Aggregation Model ◽  
Raman Spectroscopic

Raman spectroscopic and theoretical study of liquid and solid water within the spectral region 1600–2300 cm −1

2018 ◽  
Vol 196 ◽  
pp. 406-412 ◽  
Author(s):  
E.N. Kozlovskaya ◽  
G.A. Pitsevich ◽  
A.E. Malevich ◽  
O.P. Doroshenko ◽  
V.E. Pogorelov ◽  
...  
Keyword(s):  
Spectral Region ◽  
Theoretical Study ◽  
Raman Spectroscopic ◽  
Solid Water
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