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Showing results 1 to 4 of 4

1
A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

Zhang, IY; Xu, X; Jung, Yousung; Goddard, WA, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.108, no.50, pp.19896 - 19900, 2011-12

2
A soft damping function for dispersion corrections with less overfitting

Ucak, Umit Volkan; Ji, Hyunjun; Singh, Yashpal; Jung, Yousung, JOURNAL OF CHEMICAL PHYSICS, v.145, no.17, 2016-11

3
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

4
Charting the Outer Helmholtz Plane and the Role of Nitrogen Doping in the Oxygen Reduction Reaction Conducted in Alkaline Media Using Nonprecious Metal Catalysts

Youngwon, Stanfield; Chung, Dong Young; Lee, Myeong Jae; Kang, Yun Sik; Shin, Heejong; Kim, Mi-Ju; Bielawski, Christopher W.; et al, JOURNAL OF PHYSICAL CHEMISTRY C, v.120, no.43, pp.24511 - 24520, 2016-11

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