Kim WY - Search Results

1

Efficient Basin-Hopping Sampling of Reaction Intermediates through Molecular Fragmentation and Graph Theory.

Kim Y, Choi S, Kim WY. Kim Y, et al. Among authors: kim wy. J Chem Theory Comput. 2014 Jun 10;10(6):2419-26. doi: 10.1021/ct500136x. Epub 2014 May 22. J Chem Theory Comput. 2014. PMID: 26580762

2

The facet-dependent enhanced catalytic activity of Pd nanocrystals.

Kim M, Kim Y, Hong JW, Ahn S, Kim WY, Han SW. Kim M, et al. Among authors: kim wy, kim y. Chem Commun (Camb). 2014 Aug 28;50(67):9454-7. doi: 10.1039/c4cc02494j. Chem Commun (Camb). 2014. PMID: 24866808

3

Bicyclic bridgehead phosphoramidite (briphos) ligands with tunable π-acceptor ability and catalytic activity in the rhodium-catalyzed conjugate additions.

Lee A, Ahn S, Kang K, Seo MS, Kim Y, Kim WY, Kim H. Lee A, et al. Among authors: kim h, kim wy, kim y. Org Lett. 2014 Oct 17;16(20):5490-3. doi: 10.1021/ol502772m. Epub 2014 Oct 6. Org Lett. 2014. PMID: 25285981

4

Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules.

Choi S, Hong K, Kim J, Kim WY. Choi S, et al. Among authors: kim wy, kim j. J Chem Phys. 2015 Mar 7;142(9):094116. doi: 10.1063/1.4913569. J Chem Phys. 2015. PMID: 25747070

5

Supersampling method for efficient grid-based electronic structure calculations.

Ryu S, Choi S, Hong K, Kim WY. Ryu S, et al. Among authors: kim wy. J Chem Phys. 2016 Mar 7;144(9):094101. doi: 10.1063/1.4942925. J Chem Phys. 2016. PMID: 26957151

6

Performance of heterogeneous computing with graphics processing unit and many integrated core for hartree potential calculations on a numerical grid.

Choi S, Kwon OK, Kim J, Kim WY. Choi S, et al. Among authors: kim wy, kim j. J Comput Chem. 2016 Sep 15;37(24):2193-201. doi: 10.1002/jcc.24443. Epub 2016 Jul 19. J Comput Chem. 2016. PMID: 27431905

7

Outstanding performance of configuration interaction singles and doubles using exact exchange Kohn-Sham orbitals in real-space numerical grid method.

Lim J, Choi S, Kim J, Kim WY. Lim J, et al. Among authors: kim wy, kim j. J Chem Phys. 2016 Dec 14;145(22):224309. doi: 10.1063/1.4971786. J Chem Phys. 2016. PMID: 27984905

8

Effects of the locality of a potential derived from hybrid density functionals on Kohn-Sham orbitals and excited states.

Kim J, Hong K, Hwang SY, Ryu S, Choi S, Kim WY. Kim J, et al. Among authors: kim wy. Phys Chem Chem Phys. 2017 Apr 12;19(15):10177-10186. doi: 10.1039/c7cp00704c. Phys Chem Chem Phys. 2017. PMID: 28374031

9

Feasibility of Activation Energy Prediction of Gas-Phase Reactions by Machine Learning.

Choi S, Kim Y, Kim JW, Kim Z, Kim WY. Choi S, et al. Among authors: kim wy, kim z, kim y, kim jw. Chemistry. 2018 Aug 22;24(47):12354-12358. doi: 10.1002/chem.201800345. Epub 2018 Apr 24. Chemistry. 2018. PMID: 29473970

10

Efficient structural elucidation of microhydrated biomolecules through the interrogation of hydrogen bond networks.

Kim Y, Kim J, Baek KY, Kim WY. Kim Y, et al. Among authors: kim wy, kim j. Phys Chem Chem Phys. 2018 Mar 28;20(12):8185-8191. doi: 10.1039/c7cp08372f. Epub 2018 Mar 9. Phys Chem Chem Phys. 2018. PMID: 29521390

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