G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry | Zendy

David J. Henry | Zendy; Michael B. Sullivan | Zendy; Leo Radom | Zendy

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G3-RAD and G3X-RAD: Modified Gaussian-3 (G3) and Gaussian-3X (G3X) procedures for radical thermochemistry

Author(s) -

David J. Henry,

Michael B. Sullivan,

Leo Radom

Publication year - 2003

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.1544731

Subject(s) - thermochemistry , chemistry , basis set , absolute deviation , standard enthalpy of formation , standard deviation , analytical chemistry (journal) , gaussian , radical , computational chemistry , mathematics , statistics , density functional theory , organic chemistry , chromatography

The authors gratefully acknowledge generous allocations of computing time on the Compaq Alphaserver of the National Facility of the Australian Partnership for Advanced Computing, Australian National University Supercomputer Facility, and the support of the Australian Research Council.

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