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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 107, 2009 - Issue 8-12: A Special Issue in Honour of Professor Henry F. Schaefer
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Invited Articles

An evaluation of the modified 6-31G* basis set for the atoms Ga-Kr using the Gaussian-3 and Gaussian-4 composite methods

Pages 1027-1034 | Received 01 Nov 2008, Accepted 19 Dec 2008, Published online: 07 Oct 2010

References

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