The CO2−NO van der Waals Complex and the Covalently Bonded CO2NO-Anion:  A Matrix-Isolation FTIR and Theoretical Study

2000 ◽  
Vol 122 (18) ◽  
pp. 4483-4488 ◽  
Author(s):  
Mingfei Zhou ◽  
Luning Zhang ◽  
Qizong Qin
Keyword(s):  
Theoretical Study ◽  
Van Der Waals ◽  
Matrix Isolation ◽  
Van Der Waals Complex ◽  
Covalently Bonded

Theoretical study of the rovibrational spectrum of He2–OCS

2010 ◽  
Vol 88 (8) ◽  
pp. 779-786 ◽  
Author(s):  
Xiao-Gang Wang ◽  
Tucker Carrington,
Keyword(s):  
Dipole Moment ◽  
Large Amplitude ◽  
Theoretical Study ◽  
Van Der Waals ◽  
Potential Functions ◽  
Experimental Results ◽  
Basis Sets ◽  
Van Der Waals Complex ◽  
Good Agreement

We report calculated microwave and infrared rovibrational transitions of the van der Waals complex He2–OCS. The calculations were done using a product basis, a Lanczos eigensolver, and potentials built from He–OCS, and He–He potential functions taken from the literature. All five of the large amplitude coordinates are treated exactly and calculations are done for J values up to five. All rovibrational levels are converged to 0.001 cm–1 by using basis sets with as many as 87 million funcions. Good agreement is found with previously reported experimental results. Although we assume that the dipole moment is along the OCS axis, we find transitions with appreciable intensity between different torsion states.

Nature of interaction energy anisotropy in the Li(2S)–HF (˜X1Σ+) van der Waals complex. A theoretical study

2003 ◽  
Vol 109 (6) ◽  
pp. 316-325 ◽  
Author(s):  
Vladimır Lukeš ◽  
Martina Bittererová ◽  
Stanislav Biskupič ◽  
Viliam Laurinc
Keyword(s):  
Interaction Energy ◽  
Theoretical Study ◽  
Van Der Waals ◽  
Van Der Waals Complex ◽  
Energy Anisotropy

The H2OMg van der waals complex — a theoretical study

1987 ◽  
Vol 113 (2) ◽  
pp. 201-209 ◽  
Author(s):  
Joachim Sauer ◽  
Barbara Kathan ◽  
Reinhart Ahlrichs
Keyword(s):  
Theoretical Study ◽  
Van Der Waals ◽  
Van Der Waals Complex

Infrared diode laser jet spectroscopy of the van der Waals complex (N2O)2

1997 ◽  
Vol 91 (4) ◽  
pp. 689-696 ◽  
Author(s):  
HAI-BO QIAN ◽  
WOUTER HERREBOUT ◽  
BRIAN HOWARD
Keyword(s):  
Diode Laser ◽  
Van Der Waals ◽  
Van Der Waals Complex
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