On the effects of basis-set in studying the hydration and dissociation of HF in cubic HF(H2O)7 clusters

Chemical Physics Letters

Volumn 453, Issue 1-3, 2008, Pages 13-17

  Xie, Zhi Zhong ^a   Ong, Yew Soon ^a   Kuo, Jer Lai ^b  

^a NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; HYDRATION; ISOMERS; SENSITIVITY ANALYSIS; VIBRATIONAL SPECTRA;

ELECTRONIC ENERGIES; HF DISSOCIATION REACTIONS; POPLE-STYLE BASIS FUNCTIONS; RELATIVE ENERGY;

CLUSTER ANALYSIS;

EID: 39149094930     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2008.01.002     Document Type: Article

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