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Disambiguation of "Cui, Q."

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Molecular properties from combined qm/mm methods. 2. chemical shifts in large molecules

, and . J. Phys. Chem. B, 104 (15): 3721--3743 (2000)

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q Sönmäz

Keqiang Cui

Huiling Cui

Ai Cui

Yifang Cui

 

Other publications of authors with the same name

Quantum mechanical/molecular mechanical studies of the triosephosphate isomerase-catalyzed reaction: verification of methodology and analysis of reaction mechanisms, and . J. Phys. Chem. B, 106 (7): 1768--1798 (2002)Ab initio study of nonadiabatic interactions in the photodissociation of ketene, and . 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 formation, and . J. Chem. Phys., 108 (10): 4021--4030 (1998)Importance of van der waals interactions in qm/mm simulations, , and . J. Phys. Chem. B, 108 (20): 6467--6478 (2004)Combining ab initio and density functional theories with semiempirical methods, , and . J. Chem. Phys., 117 (12): 5617--5631 (2002)Potential-energy surfaces and their dynamic implications, , and . Faraday Discussions, (1998)Molecular properties from combined qm/mm methods. 2. chemical shifts in large molecules, and . J. Phys. Chem. B, 104 (15): 3721--3743 (2000)Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: effect of geometry and tunneling on proton-transfer rate constants, and . J. Am. Chem. Soc., 124 (12): 3093--3124 (2002)Free energy perturbation calculations with combined qm/mm potentials complications, simplifications, and applications to redox potential calculations, , and . J. Phys. Chem. B, 107 (33): 8643--8653 (2003)Ab initio mo studies on the photodissociation of c2h2 from the s-1((1)a(u)) state. non-adiabatic effects and s-t interaction, , and . Chem. Phys. Lett., 263 (1-2): 46--53 (1996)