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Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS Functional: Theory, Implementation, and Benchmark Comparison with M06-2X and MP2 Geometries for Nonbonded Complexes Ji, Hyunjun; Shao, Yihan; Goddard, William A.; Jung, Yousung, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.9, no.4, pp.1971 - 1976, 2013-04 |
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