Widths of Rotational Lines of an Asymmetric‐Top Molecule SO2 I. Broadening by a Rare Gas

1970 ◽  
Vol 52 (6) ◽  
pp. 2837-2840 ◽  
Author(s):  
◽  
Vinod Prakash
Keyword(s):  
Rare Gas ◽  
1998 ◽  
Vol 53 (9) ◽  
pp. 743-746 ◽  
Author(s):  
H. Dreizler ◽  
S. Kassi

Abstract It is shown algebraically that from one set of rotational constants or moments of inertia of a complex formed by an asymmetric top molecule and a rare gas atom, eight generally different structures result which are compatible with the moments of inertia.


2015 ◽  
Vol 60 (8) ◽  
pp. 757-763 ◽  
Author(s):  
V.P. Voloshin ◽  
◽  
G.G. Malenkov ◽  
Yu.I. Naberukhin ◽  
◽  
...  

2008 ◽  
Vol 128 (10) ◽  
pp. 615-618 ◽  
Author(s):  
Takeshi Kitajima ◽  
Akihiro Kubota ◽  
Toshiki Nakano

2010 ◽  
Vol 130 (12) ◽  
pp. 1073-1080
Author(s):  
Norihiko Sasaki ◽  
Mitsuharu Nogaku ◽  
Yutaka Uchida

1993 ◽  
Vol 21 (1) ◽  
pp. 35-37
Author(s):  
TADASHI TAKAHASHI
Keyword(s):  
Rare Gas ◽  

2003 ◽  
Vol 68 (3) ◽  
pp. 489-508 ◽  
Author(s):  
Yinghong Sheng ◽  
Jerzy Leszczynski

The equilibrium geometries, harmonic vibrational frenquencies, and the dissociation energies of the OCH+-Rg (Rg = He, Ne, Ar, Kr, and Xe) complexes were calculated at the DFT, MP2, MP4, CCSD, and CCSD(T) levels of theory. In the lighter OCH+-Rg (Rg = He, Ne, Ar) rare gas complexes, the DFT and MP4 methods tend to produce longer Rg-H+ distance than the CCSD(T) level value, and the CCSD-calculated Rg-H+ bond lengths are slightly shorter. DFT method is not reliable to study weak interaction in the OCH+-He and OCH+-Ne complexes. A qualitative result can be obtained for OCH+-Ar complex by using the DFT method; however, a higher-level method using a larger basis set is required for the quantitative predictions. For heavier atom (Kr, Xe)-containing complexes, only the CCSD method predicted longer Rg-H+ distance than that obtained at the CCSD(T) level. The DFT method can be applied to obtain the semiquantitative results. The relativistic effects are expected to have minor effect on the geometrical parameters, the H+-C stretching mode, and the dissociation energy. However, the dissociation energies are sensitive to the quality of the basis set. The nature of interaction between the OCH+ ion and Rg atoms was also analyzed in terms of the interaction energy components.


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