ISSN:
1432-2234
Keywords:
Hydrogen
;
Bonded complexes
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Self Consistent Field calculations, using TZ+2P basis sets, are reported on four hydrogen-bonded complexes. Vibrational frequencies, rotational constants, infrared and raman intensities are compared with available experimental data. The basis set superposition error is shown not to be important for the calculation of these properties with this basis set.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00526706
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