Year |
Citation |
Score |
2019 |
Liu Y, Liu WJ, Hu J, Li Y, Wang Y, Zhao LX. Affinity binding-mediated fluorometric protein assay based on the use of target-triggered DNA assembling probes and aptamers labelled with upconversion nanoparticles: application to the determination of platelet derived growth factor-BB. Mikrochimica Acta. 187: 9. PMID 31797061 DOI: 10.1007/s00604-019-4024-2 |
0.504 |
|
2018 |
Ito S, Wang Y, Okamoto Y, Irle S. Quantum chemical replica-exchange umbrella sampling molecular dynamics simulations reveal the formation mechanism of iron phthalocyanine from iron and phthalonitrile. The Journal of Chemical Physics. 149: 072332. PMID 30134675 DOI: 10.1063/1.5026956 |
0.629 |
|
2016 |
Jiao M, Song W, Qian HJ, Wang Y, Wu Z, Irle S, Morokuma K. QM/MD studies on graphene growth from small islands on the Ni(111) surface. Nanoscale. PMID 26785739 DOI: 10.1039/C5Nr07680C |
0.719 |
|
2015 |
Jiao M, Li K, Guan W, Wang Y, Wu Z, Page A, Morokuma K. Crystalline Ni3C as both carbon source and catalyst for graphene nucleation: a QM/MD study. Scientific Reports. 5: 12091. PMID 26169042 DOI: 10.1038/Srep12091 |
0.487 |
|
2014 |
Wang Y, Page AJ, Li HB, Qian HJ, Jiao MG, Wu ZJ, Morokuma K, Irle S. Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations. Nanoscale. 6: 140-4. PMID 24202187 DOI: 10.1039/C3Nr04694J |
0.726 |
|
2014 |
Wang Y, Gao X, Qian HJ, Ohta Y, Wu X, Eres G, Morokuma K, Irle S. Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes Carbon. 72: 22-37. DOI: 10.1016/J.Carbon.2014.01.020 |
0.719 |
|
2014 |
Wongchoosuk C, Wang Y, Kerdcharoen T, Irle S. Nonequilibrium quantum chemical molecular dynamics simulations of C60 to SiC heterofullerene conversion Carbon. 68: 285-295. DOI: 10.1016/J.Carbon.2013.11.003 |
0.552 |
|
2012 |
Li HB, Page AJ, Wang Y, Irle S, Morokuma K. Sub-surface nucleation of graphene precursors near a Ni(111) step-edge. Chemical Communications (Cambridge, England). 48: 7937-9. PMID 22763640 DOI: 10.1039/C2Cc32995F |
0.628 |
|
2012 |
Wang Y, Qian HJ, Morokuma K, Irle S. Coupled cluster and density functional theory calculations of atomic hydrogen chemisorption on pyrene and coronene as model systems for graphene hydrogenation. The Journal of Physical Chemistry. A. 116: 7154-60. PMID 22646976 DOI: 10.1021/Jp3023666 |
0.712 |
|
2012 |
Ouyang S, Gong B, Li JZ, Zhao LX, Wu W, Zhang FS, Sun L, Wang SJ, Pan M, Li C, Liang W, Shaw N, Zheng J, Zhao GP, Wang Y, et al. Structural insights into a human anti-IFN antibody exerting therapeutic potential for systemic lupus erythematosus. Journal of Molecular Medicine (Berlin, Germany). 90: 837-46. PMID 22307521 DOI: 10.1007/s00109-012-0866-3 |
0.497 |
|
2012 |
Wang J, Wang Y, Taniguchi T, Yamaguchi S, Irle S. Substituent effects on twisted internal charge transfer excited states of N-borylated carbazoles and (diphenylamino)boranes. The Journal of Physical Chemistry. A. 116: 1151-8. PMID 22208822 DOI: 10.1021/Jp209264J |
0.438 |
|
2012 |
Paris A, Verbitskiy N, Nefedov A, Wang Y, Fedorov A, Haberer D, Oehzelt M, Petaccia L, Usachov D, Vyalikh D, Sachdev H, Wöll C, Knupfer M, Büchner B, Calliari L, et al. Kinetic Isotope Effect in the Hydrogenation and Deuteration of Graphene Advanced Functional Materials. 23: 1628-1635. DOI: 10.1002/Adfm.201202355 |
0.595 |
|
2011 |
Haberer D, Giusca CE, Wang Y, Sachdev H, Fedorov AV, Farjam M, Jafari SA, Vyalikh DV, Usachov D, Liu X, Treske U, Grobosch M, Vilkov O, Adamchuk VK, Irle S, et al. Evidence for a new two-dimensional C4H-type polymer based on hydrogenated graphene. Advanced Materials (Deerfield Beach, Fla.). 23: 4497-503. PMID 21997302 DOI: 10.1002/Adma.201102019 |
0.532 |
|
2011 |
Gao X, Wang Y, Liu X, Chan TL, Irle S, Zhao Y, Zhang SB. Regioselectivity control of graphene functionalization by ripples. Physical Chemistry Chemical Physics : Pccp. 13: 19449-53. PMID 21971281 DOI: 10.1039/C1Cp22491C |
0.595 |
|
2011 |
Wang Y, Page AJ, Nishimoto Y, Qian HJ, Morokuma K, Irle S. Template effect in the competition between Haeckelite and graphene growth on Ni(111): quantum chemical molecular dynamics simulations. Journal of the American Chemical Society. 133: 18837-42. PMID 21967405 DOI: 10.1021/Ja2064654 |
0.747 |
|
2011 |
Haberer D, Petaccia L, Wang Y, Quian H, Farjam M, Jafari SA, Sachdev H, Federov AV, Usachov D, Vyalikh DV, Liu X, Vilkov O, Adamchuk VK, Irle S, Knupfer M, et al. Electronic properties of hydrogenated quasi-free-standing graphene Physica Status Solidi (B). 248: 2639-2643. DOI: 10.1002/Pssb.201100521 |
0.48 |
|
2011 |
Haberer D, Giusca CE, Wang Y, Sachdev H, Fedorov AV, Farjam M, Jafari SA, Vyalikh DV, Usachov D, Liu X, Treske U, Grobosch M, Vilkov O, Adamchuk VK, Irle S, et al. Graphene: Evidence for a New Two-Dimensional C4H-Type Polymer Based on Hydrogenated Graphene (Adv. Mater. 39/2011) Advanced Materials. 23: 4463-4463. DOI: 10.1002/Adma.201190157 |
0.553 |
|
2009 |
Ito A, Wang Y, Irle S, Morokuma K, Nakamura H. Molecular dynamics simulation of hydrogen atom sputtering on the surface of graphite with defect and edge Journal of Nuclear Materials. 390: 183-187. DOI: 10.1016/J.Jnucmat.2009.01.163 |
0.617 |
|
2009 |
Irle S, Ohta Y, Okamoto Y, Page AJ, Wang Y, Morokuma K. Milestones in molecular dynamics simulations of single-walled carbon nanotube formation: A brief critical review Nano Research. 2: 755-767. DOI: 10.1007/S12274-009-9078-8 |
0.611 |
|
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