Yubo Fan

发表

Carbon–hydrogen bond activation in cyclopentadienyl dimethyl tungsten nitrosyl and carbonyl

M. Hall, Yubo Fan, 2002 .

Counterion Effects on the Denaturing Activity of Guanidinium Cation to Protein.

Qiang Shao, Lijiang Yang, Y. Gao, 2012, Journal of chemical theory and computation.

Characterization of the active site of catalytically inactive forms of [NiFe] hydrogenases by density functional theory

A. L. Lacey, V. Fernández, M. Hall, 2007, JBIC Journal of Biological Inorganic Chemistry.

Mechanistic insights into iridium-catalyzed asymmetric hydrogenation of dienes.

K. Burgess, M. Hall, Yubo Fan, 2005, Chemistry.

Density functional study of the catalytic cycle of nickel–iron [NiFe] hydrogenases and the involvement of high-spin nickel(II)

A. L. Lacey, V. Fernández, H. Fan, 2006, JBIC Journal of Biological Inorganic Chemistry.

Effects of urea, tetramethyl urea, and trimethylamine N-oxide on aqueous solution structure and solvation of protein backbones: a molecular dynamics simulation study.

Y. Gao, Haiyan Wei, Yubo Fan, 2010, The journal of physical chemistry. B.

Structural determinants for the stereoselective hydrolysis of chiral substrates by phosphotriesterase.

S. Almo, F. Raushel, Lijiang Yang, 2010, Biochemistry.

An Expedient Synthesis of Novel [1,2,4]Triazolo[3,2-d][1,5]Benzothiazepine Derivatives

Yubo Fan, Quanrui Wang, Z. Ding, 2000 .

Experimental and computational evidence for a boron-assisted, sigma-bond metathesis pathway for alkane borylation.

C. E. Webster, J. Hartwig, M. Hall, 2003, Journal of the American Chemical Society.

Carbene-metal hydrides can be much less acidic than phosphine-metal hydrides: significance in hydrogenations.

K. Burgess, Yubo Fan, Ye Zhu, 2010, Journal of the American Chemical Society.

Density functional study of the complete pathway for the Heck reaction with palladium diphosphines

M. Hall, Yubo Fan, Panida Surawatanawong, 2008 .

A DFT study on the mechanism of phosphodiester cleavage mediated by monozinc complexes.

Y. Gao, Yubo Fan, 2007, Journal of the American Chemical Society.

Asymmetric hydrogenation routes to deoxypolyketide chirons.

K. Burgess, Yubo Fan, Jianguang Zhou, 2007, Chemistry.

Rhodium boryl complexes in the catalytic, terminal functionalization of alkanes.

C. E. Webster, Kevin S. Cook, C. Incarvito, 2005, Journal of the American Chemical Society.

Electronic effects steer the mechanism of asymmetric hydrogenations of unfunctionalized aryl-substituted alkenes.

K. Burgess, M. Hall, Yubo Fan, 2004, Journal of the American Chemical Society.

A DFT study on dissociation of diborane (B2H6) in dimethyl sulfide media

Yubo Fan, Quanrui Wang, F. Tao, 2000 .

Asymmetric hydrogenation routes to deoxypolyketide chirons.

K. Burgess, Yubo Fan, Jianguang Zhou, 2007, Chemistry.

How electron flow controls the thermochemistry of the addition of olefins to nickel dithiolenes: predictions by density functional theory.

M. Hall, Yubo Fan, 2002, Journal of the American Chemical Society.

Rhodium silyl boryl hydride complexes: comparison of bonding and the rates of elimination of borane, silane, and dihydrogen.

C. E. Webster, Kevin S. Cook, C. Incarvito, 2004, Angewandte Chemie.

Differences of cations and anions: their hydration, surface adsorption, and impact on water dynamics.

Lijiang Yang, Y. Gao, Yubo Fan, 2011, The journal of physical chemistry. B.

On the structure of water at the aqueous/air interface.

Lijiang Yang, Y. Gao, P. Cremer, 2009, The journal of physical chemistry. B.

Carbamate transport in carbamoyl phosphate synthetase: a theoretical and experimental investigation.

F. Raushel, Qiang Shao, Y. Gao, 2010, Journal of the American Chemical Society.

From protein denaturant to protectant: comparative molecular dynamics study of alcohol/protein interactions.

Lijiang Yang, Qiang Shao, Yi Qin Gao, 2012, The Journal of chemical physics.

A combined theoretical and experimental study of the ammonia tunnel in carbamoyl phosphate synthetase.

F. Raushel, Qiang Shao, Y. Gao, 2009, Journal of the American Chemical Society.

A DFT study on the mechanism of Wolff Rearrangement in a fivemember Iridacycle

Yubo Fan, Stephen Bacon, Akindejoye Kolade, 2010, ICCS.

Thermodynamics and kinetics simulations of multi-time-scale processes for complex systems

Lijiang Yang, Qiang Shao, Yi Qin Gao, 2008 .

A comparison between oxazoline-imidazolinylidene, -imidazolylidine, -benzimidazolylidene hydrogenation catalysts.

K. Burgess, Yubo Fan, Sakunchai Khumsubdee, 2013, The Journal of organic chemistry.

Significant combination of Aβ aggregation inhibitory and neuroprotective properties in silico, in vitro and in vivo by bis(propyl)-cognitin, a multifunctional anti-Alzheimer's agent.

Y. Pang, R. Pi, Yifan Han, 2020, European journal of pharmacology.

Mechanism for the transport of ammonia within carbamoyl phosphate synthetase determined by molecular dynamics simulations.

F. Raushel, Lijiang Yang, Y. Gao, 2008, Biochemistry.