Hong Zhang

发表

First-Principle Study of Atomic Hydrogen Interaction with a Fluorinated Corannulene Radical

Sean C. Smith, Hiroki Nakamura, S. Nanbu, 2010 .

Quantum mechanical study of atomic hydrogen interaction with a fluorinated boron-substituted coronene radical

Sean C. Smith, Hiroki Nakamura, S. Nanbu, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

Lanczos Subspace Time-Independent Wave Packet Calculations of S (1D) + H2Reactive Scattering

Sean C. Smith, Hong Zhang, 2002 .

Quantum dynamical study of the O(1D)+HCl reaction employing three electronic state potential energy surfaces.

Sean C. Smith, Hiroki Nakamura, Keli Han, 2008, The Journal of chemical physics.

Quantum mechanical calculation of energy dependence of OCl/OH product branching ratio and product quantum state distributions for the O(1D) + HCl reaction on all three contributing electronic state potential energy surfaces.

Sean C. Smith, Hiroki Nakamura, Keli Han, 2008, The journal of physical chemistry. A.

Initial rotational quantum state excitation and isotopic effects for the O(1D)+HCl OH+Cl( (OCl+H) reaction

Sean C. Smith, S. Nanbu, Hong Zhang, 2009 .

Structure, dynamics, and energetics of siRNA-cationic vector complexation: a molecular dynamics study.

Sean C. Smith, D. Herten, H. Parekh, 2010, The journal of physical chemistry. B.

Molecular modeling of hydrotalcite structure intercalated with transition metal oxide anions: CrO4(2-) and VO4(3-).

Sean C. Smith, Vinuthaa Murthy, Hong Zhang, 2011, The journal of physical chemistry. A.

Catalytic applications of layered double hydroxides and derivatives

Z. Xu, Hong Zhang, Jia Zhang, 2011 .

Structure and dynamics of multiple cationic vectors-siRNA complexation by all-atomic molecular dynamics simulations.

Sean C. Smith, H. Parekh, D. Ouyang, 2010, The journal of physical chemistry. B.

Lanczos subspace filter diagonalization: Homogeneous recursive filtering and a low-storage method for the calculation of matrix elements

Sean C. Smith, Hong Zhang, 2001 .

Molecular dynamic simulations of interactions between LDH and NO3− intercalates in aqueous solution

Sean C. Smith, G. Lu, Z. Xu, 2008 .

Calculation of bound and resonance states of HO2 for nonzero total angular momentum

Sean C. Smith, Hong Zhang, 2003 .

Flexibility of Short-Strand RNA in Aqueous Solution as Revealed by Molecular Dynamics Simulation: Are A-RNA and A′-RNA Distinct Conformational Structures?

Sean C. Smith, D. Herten, H. Parekh, 2009 .

Theoretical studies of green and red fluorescent proteins

Sean C. Smith, S. Olsen, Qiao Sun, 2010 .

The effect of pH on PAMAM dendrimer-siRNA complexation: endosomal considerations as determined by molecular dynamics simulation.

Sean C. Smith, H. Parekh, D. Ouyang, 2011, Biophysical chemistry.

Quasi-classical trajectory study of the reactions N(2D) with H2, D2, and HD

Hong Zhang, X. Yue, Jie Cheng, 2010 .

Calculation of product state distributions from resonance decay via Lanczos subspace filter diagonalization: Application to HO2

Sean C. Smith, Hong Zhang, 2001 .

First principle study of proton transfer in the green fluorescent protein (GFP): Ab initio PES in a cluster model

Qiao Sun, Zhen Li, S. Nanbu, 2012 .

Structural and Relaxation Effects in Proton Wire Energetics: Model Studies of the Green Fluorescent Protein Photocycle

Sean C. Smith, S. Fischer, Qiao Sun, 2010 .

Symmetry contaminations in reactive scattering through long-lived collision complexes

Sean C. Smith, Hong Zhang, 2005 .

Chebyshev real wave packet propagation: H+O2 (J=0) state-to-state reactive scattering calculations

Sean C. Smith, Hong Zhang, 2002 .

Efficient time-independent wave packet scattering calculations within a Lanczos subspace: H+O2 (J=0) state-to-state reaction probabilities

Sean C. Smith, Hong Zhang, 2002 .

A comparison of low-storage strategies for spectral analysis in dissipative systems: filter diagonalisation in the Lanczos representation and harmonic inversion of the Chebychev-order-domain autocorrelation function

Sean C. Smith, Hong Zhang, 2001 .

HO2 ro-vibrational bound-state calculations for large angular momentum: J = 30, 40, and 50.

Sean C. Smith, Hong Zhang, 2006, Journal of Physical Chemistry A.

Iterative quantum computations of HO2 bound states and resonances for J=4 and 5

Sean C. Smith, Hong Zhang, 2004 .

Converged quantum calculations of HO2 bound states and resonances for J=6 and 10.

Sean C. Smith, Hong Zhang, Sean C Smith, 2004, The Journal of chemical physics.

Computer Modeling Study for Intercalation of Drug Heparin into Layered Double Hydroxide

Sean C. Smith, G. Lu, Z. Xu, 2010 .

Kinetic isotope effect for ground state proton transfer in the green fluorescent protein: a quantum-kinetic model.

Qiao Sun, Sufan Wang, Sean C. Smith, 2009, Physical chemistry chemical physics : PCCP.

HOCl Ro-vibrational bound-state calculations for nonzero total angular momentum.

Sean C. Smith, Hiroki Nakamura, S. Nanbu, 2006, The journal of physical chemistry. A.

Kinetic modelling of molecular hydrogen transport in microporous carbon materials.

Sean C. Smith, S. Gray, S. Bhatia, 2011, Physical chemistry chemical physics : PCCP.

MODEL REAL-TIME QUANTUM DYNAMICAL SIMULATIONS OF PROTON TRANSFER IN THE GREEN FLUORESCENT PROTEIN (GFP)

Sean C. Smith, Hong Zhang, Hong Zhang, 2007 .

CALCULATION OF HO2 DENSITY OF STATES ON THREE POTENTIAL ENERGY SURFACES

Sean C. Smith, Hong Zhang, 2010 .

Unimolecular rovibrational bound and resonance states for large angular momentum: J=20 calculations for HO2.

Sean C. Smith, Hong Zhang, 2005, The Journal of chemical physics.

Full S matrix calculation via a single real-symmetric Lanczos recursion: the Lanczos artificial boundary inhomogeneity method.

Sean C. Smith, Hong Zhang, 2004, The Journal of chemical physics.

The effect of pH on PAMAM dendrimer-siRNA complexation: endosomal considerations as determined by molecular dynamics simulation.

Sean C. Smith, H. Parekh, D. Ouyang, 2011, Biophysical chemistry.

Hydrotalcite Intercalated siRNA: Computational Characterization of the Interlayer Environment

Sean C. Smith, Vinuthaa Murthy, Zhiping Xu, 2012, Pharmaceutics.

A COMPARATIVE STUDY OF ITERATIVE CHEBYSHEV AND LANCZOS IMPLEMENTATIONS OF THE BOUNDARY INHOMOGENEITY METHOD FOR QUANTUM SCATTERING

Sean C. Smith, Hong Zhang, Sean C. Smith, 2003 .