Yuan DW - Search Results

1

Geometric, electronic, and bonding properties of AuNM (N = 1-7, M = Ni, Pd, Pt) clusters.

Yuan DW, Wang Y, Zeng Z. Yuan DW, et al. J Chem Phys. 2005 Mar 15;122(11):114310. doi: 10.1063/1.1862239. J Chem Phys. 2005. PMID: 15836218

2

Saturated adsorption of CO and coadsorption of CO and O2 on AuN- (N=2-7) clusters.

Yuan DW, Zeng Z. Yuan DW, et al. J Chem Phys. 2004 Apr 8;120(14):6574-84. doi: 10.1063/1.1667466. J Chem Phys. 2004. PMID: 15267549

3

Ab initio studies on the reaction of O2 with Ba(n) (n=2,5) clusters.

Li SF, Xue X, Chen G, Yuan DW, Jia Y, Gong XG. Li SF, et al. Among authors: yuan dw. J Chem Phys. 2006 Jun 14;124(22):224711. doi: 10.1063/1.2205851. J Chem Phys. 2006. PMID: 16784305

4

Structures and properties of large supramolecular coordination complexes predicted with the generalized energy-based fragmentation method.

Yuan D , Li Y , Li W , Li S . Yuan D , et al. Phys Chem Chem Phys. 2018 Nov 21;20(45):28894-28902. doi: 10.1039/c8cp05548c. Phys Chem Chem Phys. 2018. PMID: 30421758

5

Are fragment-based quantum chemistry methods applicable to medium-sized water clusters?

Yuan D, Shen X, Li W, Li S. Yuan D, et al. Phys Chem Chem Phys. 2016 Jun 28;18(24):16491-500. doi: 10.1039/c6cp01931e. Epub 2016 Jun 6. Phys Chem Chem Phys. 2016. PMID: 27263629

6

Accurate prediction of the structure and vibrational spectra of ionic liquid clusters with the generalized energy-based fragmentation approach: critical role of ion-pair-based fragmentation.

Li Y, Yuan D, Wang Q, Li W, Li S. Li Y, et al. Phys Chem Chem Phys. 2018 May 16;20(19):13547-13557. doi: 10.1039/c8cp00513c. Phys Chem Chem Phys. 2018. PMID: 29726875

7

Benchmark Relative Energies for Large Water Clusters with the Generalized Energy-Based Fragmentation Method.

Yuan D, Li Y, Ni Z, Pulay P, Li W, Li S. Yuan D, et al. J Chem Theory Comput. 2017 Jun 13;13(6):2696-2704. doi: 10.1021/acs.jctc.7b00284. Epub 2017 May 12. J Chem Theory Comput. 2017. PMID: 28478670

8

Cooperative Au/Ag Dual-Catalyzed Cross-Dehydrogenative Biaryl Coupling: Reaction Development and Mechanistic Insight.

Li W, Yuan D, Wang G, Zhao Y, Xie J, Li S, Zhu C. Li W, et al. J Am Chem Soc. 2019 Feb 20;141(7):3187-3197. doi: 10.1021/jacs.8b12929. Epub 2019 Feb 8. J Am Chem Soc. 2019. PMID: 30681846

9

Efficient Implementation of Local Excitation Approximation for Treating Excited States of Molecules in Condensed Phase.

Zhang C, Yuan D, Guo Y, Li S. Zhang C, et al. J Chem Theory Comput. 2014 Dec 9;10(12):5308-17. doi: 10.1021/ct500551p. J Chem Theory Comput. 2014. PMID: 26583214

10

Organocatalytic decarboxylative alkylation of N-hydroxy-phthalimide esters enabled by pyridine-boryl radicals.

Gao L , Wang G , Cao J , Yuan D , Xu C , Guo X , Li S . Gao L , et al. Chem Commun (Camb). 2018 Oct 11;54(82):11534-11537. doi: 10.1039/c8cc06152a. Chem Commun (Camb). 2018. PMID: 30199080

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