Li Y - Search Results

1

Theoretical investigation of the singlet-triplet splittings for carbazole-based thermally activated delayed fluorescence emitters.

Liang K, Zheng C, Wang K, Liu W, Guo Z, Li Y, Zhang X. Liang K, et al. Among authors: li y. Phys Chem Chem Phys. 2016 Sep 29;18(38):26623-26629. doi: 10.1039/c6cp04545f. Phys Chem Chem Phys. 2016. PMID: 27722283

2

Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.

Sun H, Li Y, Tian S, Xu L, Hou T. Sun H, et al. Among authors: li y. Phys Chem Chem Phys. 2014 Aug 21;16(31):16719-29. doi: 10.1039/c4cp01388c. Phys Chem Chem Phys. 2014. PMID: 24999761

3

Assessing the performance of MM/PBSA and MM/GBSA methods. 5. Improved docking performance using high solute dielectric constant MM/GBSA and MM/PBSA rescoring.

Sun H, Li Y, Shen M, Tian S, Xu L, Pan P, Guan Y, Hou T. Sun H, et al. Among authors: li y. Phys Chem Chem Phys. 2014 Oct 28;16(40):22035-45. doi: 10.1039/c4cp03179b. Epub 2014 Sep 10. Phys Chem Chem Phys. 2014. PMID: 25205360

4

Importance of protein flexibility in ranking inhibitor affinities: modeling the binding mechanisms of piperidine carboxamides as Type I1/2 ALK inhibitors.

Kong X, Pan P, Li D, Tian S, Li Y, Hou T. Kong X, et al. Among authors: li d, li y. Phys Chem Chem Phys. 2015 Feb 28;17(8):6098-113. doi: 10.1039/c4cp05440g. Phys Chem Chem Phys. 2015. PMID: 25644934

5

Molybdenum disulfide as a highly efficient adsorbent for non-polar gases.

Yu N, Wang L, Li M, Sun X, Hou T, Li Y. Yu N, et al. Among authors: li y, li m. Phys Chem Chem Phys. 2015 May 7;17(17):11700-4. doi: 10.1039/c5cp00161g. Phys Chem Chem Phys. 2015. PMID: 25865455

6

Band gap modulation of Si-C binary core/shell nanowires by composition and ratio.

Dong H, Guo Z, Gilmore K, Du C, Hou T, Lee ST, Li Y. Dong H, et al. Among authors: li y. Nanotechnology. 2015 Jul 10;26(27):275201. doi: 10.1088/0957-4484/26/27/275201. Epub 2015 Jun 12. Nanotechnology. 2015. PMID: 26066560

7

Semiconducting Graphene on Silicon from First-Principles Calculations.

Dang X, Dong H, Wang L, Zhao Y, Guo Z, Hou T, Li Y, Lee ST. Dang X, et al. Among authors: li y. ACS Nano. 2015 Aug 25;9(8):8562-8. doi: 10.1021/acsnano.5b03722. Epub 2015 Aug 10. ACS Nano. 2015. PMID: 26213346

8

Fast Energy Relaxation by Trap States Decreases Electron Mobility in TiO2 Nanotubes: Time-Domain Ab Initio Analysis.

Guo Z, Prezhdo OV, Hou T, Chen X, Lee ST, Li Y. Guo Z, et al. Among authors: li y. J Phys Chem Lett. 2014 May 15;5(10):1642-7. doi: 10.1021/jz500565v. Epub 2014 Apr 24. J Phys Chem Lett. 2014. PMID: 26270359

9

Stability of two-dimensional PN monolayer sheets and their electronic properties.

Ma S, He C, Sun LZ, Lin H, Li Y, Zhang KW. Ma S, et al. Among authors: li y. Phys Chem Chem Phys. 2015 Dec 21;17(47):32009-15. doi: 10.1039/c5cp05901a. Phys Chem Chem Phys. 2015. PMID: 26573995

10

Molecular principle of the cyclin-dependent kinase selectivity of 4-(thiazol-5-yl)-2-(phenylamino) pyrimidine-5-carbonitrile derivatives revealed by molecular modeling studies.

Kong X, Sun H, Pan P, Tian S, Li D, Li Y, Hou T. Kong X, et al. Among authors: li d, li y. Phys Chem Chem Phys. 2016 Jan 21;18(3):2034-46. doi: 10.1039/c5cp05622e. Epub 2015 Dec 21. Phys Chem Chem Phys. 2016. PMID: 26686753

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