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Density functional study on the mechanism of palladium(0)- catalyzed thioboration reaction of alkynes. differences between pd(0) and pt(0) catalysts and between thioboration and diboration

Q. Cui, D. Musaev, and K. Morokuma. Organometallics, 17 (7): 1383--1392 (1998)

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q Sönmäz

Keqiang Cui

Huiling Cui

Ai Cui

Yifang Cui

Other publications of authors with the same name

Ab initio mo studies on the photodissociation of c2h2 from the s-1((1)a(u)) state. non-adiabatic effects and s-t interactionQ. Cui, K. Morokuma, and J. Stanton. Chem. Phys. Lett., 263 (1-2): 46--53 (1996)A critical evaluation of different qm/mm frontier treatments with scc-dftb as the qm methodP. Konig, M. Hoffmann, T. Frauenheim, and Q. Cui. J. Phys. Chem. B, 109 (18): 9082--9095 (2005)Mechanochemical coupling in myosin: a theoretical analysis with molecular dynamics and combined qm/mm reaction path calculationsG. Li, and Q. Cui. J. Phys. Chem. B, 108 (10): 3342--3357 (2004)Qm/mm studies of the enzyme-catalyzed dechlorination of 4-chlorobenzoyl-coa provide insight into reaction energeticsD. Xu, Y. Wei, J. Wu, D. Mariano, H. Guo, Q. Cui, and J. Gao. J. Am. Chem. Soc., 126 (42): 13649--13658 (2004)Ab initio theoretical studies on photodissociation of hnco upon s-1((1)a '')<- s-0((1)a(')) excitation: the role of internal conversion and intersystem crossingA. Kaledin, Q. Cui, M. Heaven, and K. Morokuma. J. Chem. Phys., 111 (11): 5004--5016 (1999)Combining implicit solvation models with hybrid quantum mechanical/molecular mechanical methods: a critical test with glycineQ. Cui. J. Chem. Phys., 117 (10): 4720--4728 (2002)Quantum mechanical/molecular mechanical studies of the triosephosphate isomerase-catalyzed reaction: verification of methodology and analysis of reaction mechanismsQ. Cui, and M. Karplus. J. Phys. Chem. B, 106 (7): 1768--1798 (2002)Ab initio study of nonadiabatic interactions in the photodissociation of keteneQ. Cui, and K. Morokuma. J. Chem. Phys., 107 (13): 4951--4959 (1997)Ab initio study on the mechanism of c2h2+nh3 reaction: efficient charge transfer and proton transfer processes competing with stable complex formationQ. Cui, and K. Morokuma. J. Chem. Phys., 108 (10): 4021--4030 (1998)Importance of van der waals interactions in qm/mm simulationsD. Riccardi, G. Li, and Q. Cui. J. Phys. Chem. B, 108 (20): 6467--6478 (2004)

BibSonomy

Disambiguation of "Cui, Q."