Tang-Qing Yu

发表

Kinetics of O2 Entry and Exit in Monomeric Sarcosine Oxidase via Markovian Milestoning Molecular Dynamics.

Anthony Bucci, E. Vanden-Eijnden, C. Abrams, 2016, Journal of chemical theory and computation.

α-Substituent Effects on Si–H, P–H and S–H Bond Dissociation Energies

Q. Guo, Lei Liu, Yao Fu, 2006 .

How to promote sluggish electrocyclization of 1,3,5-hexatrienes by captodative substitution.

Q. Guo, Lei Liu, Yao Fu, 2006, The Journal of organic chemistry.

Resorcinol Crystallization from the Melt: A New Ambient Phase and New "Riddles".

Artem R. Oganov, Qiang Zhu, Mark E. Tuckerman, 2016, Journal of the American Chemical Society.

Structure modeling, synthesis and X-ray diffraction determination of an extra-large calixarene-based coordination cage and its application in drug delivery.

C. Hu, W. Liao, Shangchao Du, 2015, Dalton transactions.

Microscopic mechanisms of equilibrium melting of a solid

W. E, M. Tuckerman, A. Samanta, 2014, Science.

Constrained molecular dynamics in the isothermal-isobaric ensemble and its adaptation for adiabatic free energy dynamics

M. Tuckerman, T. Yu, Tang-Qing Yu, 2011 .

Order-parameter-aided temperature-accelerated sampling for the exploration of crystal polymorphism and solid-liquid phase transitions.

E. Vanden-Eijnden, M. Tuckerman, A. Samanta, 2014, The Journal of chemical physics.

Temperature-accelerated method for exploring polymorphism in molecular crystals based on free energy.

Mark E Tuckerman, Tang-Qing Yu, M. Tuckerman, 2011, Physical review letters.

Measure-preserving integrators for molecular dynamics in the isothermal–isobaric ensemble derived from the Liouville operator

Mark E. Tuckerman, Glenn J. Martyna, Roberto López-Rendón, 2010 .

Full kinetics of CO entry, internal diffusion, and exit in myoglobin from transition-path theory simulations.

Eric Vanden-Eijnden, Cameron F. Abrams, Tang-Qing Yu, 2015, Journal of the American Chemical Society.

Multiscale implementation of infinite-swap replica exchange molecular dynamics

Eric Vanden-Eijnden, Jianfeng Lu, Tang-Qing Yu, 2016, Proceedings of the National Academy of Sciences.

Quantum-chemical predictions of redox potentials of organic anions in dimethyl sulfoxide and reevaluation of bond dissociation enthalpies measured by the electrochemical methods.

Q. Guo, Lei Liu, Yao Fu, 2006, The journal of physical chemistry. A.

Locating landmarks on high-dimensional free energy surfaces

Mark E Tuckerman, Ming Chen, Tang-Qing Yu, 2015, Proceedings of the National Academy of Sciences.

Intermolecular photoinduced electron-transfer processes between C60 and aniline derivatives in benzonitrile

Wenjian Tang, Yao Fu, Yang Pan, 2007 .

Sampling saddle points on a free energy surface.

Weinan E, Amit Samanta, Mark Tuckerman, 2014, The Journal of chemical physics.