A theoretical study of the cluster vibrations in Cr2O2, Cr2O3, and Cr2O4

Journal of Physical Chemistry A

Volumn 104, Issue 5, 2000, Pages 990-994

  Xiang, Kai Hua ^a   Pandey, Ravindra ^a   Recio, J M ^b   Francisco, E ^b   Newsam, John M ^c  

^a MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

^b UNIVERSITY OF OVIEDO   (Spain)

^c ACCELRYS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0042971953     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp990171u     Document Type: Article

References (12)

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5. Nayak S. K.; Jena P. 1999. Unpublished.
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8. -1.
9. DMol user guide, version 2.3.6; Molecular Simulations, Inc.: San Diego, CA, 1995.
10. We believe that numerical uncertainities in the computation of the second derivative may be a source of this small value of the calculated imaginary mode.
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