A Simulation Study of the Fundamental Vibrational Shifts of HCl Diluted in Ar, Kr, and Xe: Anharmonic Corrections Effects

Table 1

Parameters of the binary isotropic components (22).

	𝜖 (K)	𝜎 (Å)	𝛼 (Å^3)	(𝜕𝛼/𝜕𝑄)𝑄=0 (Å^3)	(𝜕^2𝛼/𝜕^2𝑄)𝑄=0 (Å^3)
HCl–Ar	206.97^a	3.38^a
HCl–Kr	262.49^b	3.44^b
HCl–Xe	318.85^b	3.60^b
HCl			2.63^c	1.54328^c	4.165^c

^aObtained with the combining rule from data of ref. [15].
^bObtained with the combining rule from data of refs. [15, 16].
^cRef. [17].