Roles of the scalar and vector components of the solvation effects on the vibrational properties of hydrogen- or halogen-bond accepting stretching modes

2016 ◽  
Vol 18 (15) ◽  
pp. 10081-10096 ◽  
Author(s):  
Hajime Torii ◽  
Saori Noge
Keyword(s):  
Vibrational Frequency ◽  
Halogen Bond ◽  
Angular Position ◽  
Vibrational Properties ◽  
Frequency Shifts ◽  
Solvation Effects ◽  
Intensity Changes ◽  
Position Dependence ◽  
Vibrational Frequency Shifts

Solvation-induced vibrational frequency shifts and IR intensity changes, especially their angular position dependence, are examined theoretically.

Vibrational frequency shifts and thermodynamic stabilities of (HF)n isomers (n=4–8)

1995 ◽  
Vol 245 (4-5) ◽  
pp. 319-325 ◽  
Author(s):  
Friedrich Huisken ◽  
Elena G. Tarakanova ◽  
Andrei A. Vigasin ◽  
Georgy V. Yukhnevich
Keyword(s):  
Vibrational Frequency ◽  
Frequency Shifts ◽  
Vibrational Frequency Shifts

Structures, Energetics and Vibrational Frequency Shifts of Hydrated Pyrimidine

ChemPhysChem ◽  
2011 ◽  
Vol 12 (17) ◽  
pp. 3262-3273 ◽  
Author(s):  
J. Coleman Howard ◽  
Nathan I. Hammer ◽  
Gregory S. Tschumper
Keyword(s):  
Vibrational Frequency ◽  
Frequency Shifts ◽  
Vibrational Frequency Shifts
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