Statistical mechanics of solvent induced forces and vibrational frequency shifts. Low density expansions and Monte Carlo simulations

1993 ◽  
Vol 99 (12) ◽  
pp. 9954-9961 ◽  
Author(s):  
Luís E. S. de Souza ◽  
Claudia B. E. Guerin ◽  
Dor Ben‐Amotz ◽  
Igal Szleifer
Keyword(s):  
Monte Carlo ◽  
Statistical Mechanics ◽  
Monte Carlo Simulations ◽  
Vibrational Frequency ◽  
Low Density ◽  
Frequency Shifts ◽  
Density Expansions ◽  
Vibrational Frequency Shifts

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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