Hua-Gen Yu

发表

Quantum theory of bimolecular chemical reactions

G. Nyman, Hua-Gen Yu, 2000 .

Multi-layer Lanczos iteration approach to calculations of vibrational energies and dipole transition intensities for polyatomic molecules.

Hua-Gen Yu, 2015, The Journal of chemical physics.

Quantum approaches to polyatomic reaction dynamics

G. Nyman, Hua-Gen Yu, 2013 .

Neural network iterative diagonalization method to solve eigenvalue problems in quantum mechanics.

Hua-Gen Yu, 2015, Physical chemistry chemical physics : PCCP.

Converged quantum dynamics calculations of vibrational energies of CH4 and CH3D using an ab initio potential.

Hua-Gen Yu, 2004, The Journal of chemical physics.

Convert graphene sheets to boron nitride and boron nitride–carbon sheets via a carbon-substitution reaction

W. Han, Zhenxian Liu, Hua-Gen Yu, 2011 .

On the gas-phase formation of the HCO radical: accurate quantum study of the H+CO radiative association

G. Nyman, P. Halvick, T. Stoecklin, 2018 .

A Study on the Reaction of O(1D) and N2O by Trajectory Calculation and Time-Resolved FTIR Spectroscopy

Xuebin Wang, Hua-Gen Yu, F. Kong, 1995 .

Restarted Krylov-space spectral filtering

Sean C. Smith, Hua-Gen Yu, 1997 .

A spectral transform minimum residual filter diagonalization method for interior eigenvalues of physical systems

G. Nyman, Hua-Gen Yu, 1999 .

Interpolated ab initio quantum scattering for the reaction of OH with HCl

G. Nyman, Hua-Gen Yu, 2000 .

A General Variational Algorithm to Calculate Vibrational Energy Levels of Tetraatomic Molecules

J. Muckerman, Hua-Gen Yu, 2002 .

Organic coating on sulfate and soot particles during late summer in the Svalbard Archipelago

Junying Sun, Xiaoye Zhang, Weijun Li, 2019, Atmospheric Chemistry and Physics.

A complex guided spectral transform Lanczos method for studying quantum resonance states.

Hua-Gen Yu, 2014, The Journal of chemical physics.

PRODUCT BRANCHING RATIOS OF THE REACTION OF CO WITH H+3 AND H2D+

Hua-Gen Yu, 2009 .

An Optimal Density Functional Theory Method for GaN and ZnO

Hua-Gen Yu, 2011 .

The Elimination of Lanczos Ghosting Effects by MINRES Filter Diagonalization

Sean C. Smith, Hua-Gen Yu, 1998 .

Four-dimensional quantum scattering calculations on the H+CH4→H2+CH3 reaction

G. Nyman, Hua-Gen Yu, 1999 .

Reduced dimensionality quantum scattering calculations on the Cl+CH4→HCl+CH3 reaction

G. Nyman, R. Walker, Hua-Gen Yu, 1998 .

Organic coating on sulfate and soot particles in summer Arctic 1 atmosphere 2 3

Xiaojing, Junying Sun, Xiaoye Zhang, 2019 .

A rigorous full-dimensional quantum dynamics study of tunneling splitting of rovibrational states of vinyl radical C2H3.

Hongwei Song, Minghui Yang, Hua-Gen Yu, 2017, The Journal of chemical physics.

An exact variational method to calculate rovibrational spectra of polyatomic molecules with large amplitude motion.

Hua-Gen Yu, 2016, The Journal of chemical physics.

Quantum force molecular dynamics study of the reaction of O atoms with HOCO.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2007, The Journal of chemical physics.

Quantum dynamics of the photoinitiated unimolecular dissociation of HOCO

J. Muckerman, Hua-Gen Yu, 2002 .

Isotope effect on band gap and radiative transitions properties of boron nitride nanotubes.

C. Zhi, Y. Bando, T. Sekiguchi, 2008, Nano letters.

A generalized discrete variable representation approach to interpolating or fitting potential energy surfaces

G. Nyman, S. Andersson, Hua-Gen Yu, 2000 .

THE INFRARED AND UV–VISIBLE SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS CONTAINING (5, 7)-MEMBER RING DEFECTS: A THEORETICAL STUDY

G. Nyman, Hua-Gen Yu, 2012 .

Exploring the ring-opening pathways in the reaction of morpholinyl radicals with oxygen molecule.

Hua-Gen Yu, P. P. Dholabhai, 2012, The journal of physical chemistry. A.

Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2008, The Journal of chemical physics.

Potential energy surface and quantum dynamics study of rovibrational states for HO(3) (X (2)A'').

B. Braams, Hua-Gen Yu, 2008, Physical chemistry chemical physics : PCCP.

A clue to the diffuse structure in ultraviolet spectra of the GeCl2 A-X transition.

Hua-Gen Yu, T. Sears, 2006, The Journal of chemical physics.

Origin of anomalous electronic circular dichroism spectrum of RuPt2(tppz)2Cl2(PF6)4 in acetonitrile.

Hua-Gen Yu, 2014, The journal of physical chemistry. A.

Doppler-Resolved Kinetics of Saturation Recovery.

G. Hall, P. Dagdigian, Hua-Gen Yu, 2015, The journal of physical chemistry. A.

Ab initio molecular dynamics simulation of photodetachment reaction of cyclopentoxide

Hua-Gen Yu, 2007 .

A coherent discrete variable representation method on a sphere.

Hua-Gen Yu, 2017, The Journal of chemical physics.

A coherent discrete variable representation method for multidimensional systems in physics.

Hua-Gen Yu, 2005, The Journal of chemical physics.

Accelerating the calculation of the rovibrational energies of tetraatomic molecules using a two-layer Lanczos algorithm

Hua-Gen Yu, 2002 .

Three-dimensional quantum scattering calculations on the Cl+CH4HCl+CH3 reaction

G. Nyman, Hua-Gen Yu, 1999 .

Calculation of quantum resonance energies and lifetimes via quasi-minimum residual filter diagonalization

Sean C. Smith, Hua-Gen Yu, 1998 .

A K-dependent adiabatic approximation to the Renner-Teller effect for triatomic molecules

J. Muckerman, Hua-Gen Yu, T. Sears, 2002 .

Theoretical studies of the three-body recombination of the muonic helium ion (Heμ−)+ in gaseous helium

Hua-Gen Yu, 1994 .

HOCO radical chemistry.

Hua-Gen Yu, Joseph S. Francisco, J. S. Francisco, 2010, Accounts of chemical research.

Rotational and angular distributions of NO products from NO-Rg (Rg = He, Ne, Ar) complex photodissociation.

G. Hall, Hua-Gen Yu, W. Lawrance, 2016, The Journal of chemical physics.

A spherical electron cloud hopping model for studying product branching ratios of dissociative recombination.

Hua-Gen Yu, 2008, The Journal of chemical physics.

Hot bands in jet-cooled and ambient temperature spectra of chloromethylene.

Hua-Gen Yu, T. Sears, Z. Wang, 2006, The Journal of chemical physics.

An ab initio molecular dynamics study of the roaming mechanism of the H2+HOC+ reaction

Hua-Gen Yu, 2011 .

Infrared vibrational spectra of CH3+ and its deuterated isotopologues

G. Nyman, Hua-Gen Yu, 2019, AIP Advances.

A rigorous full-dimensional quantum dynamics calculation of the vibrational energies of H3O-2.

Hua-Gen Yu, Hua-Gen Yu, 2006, The Journal of chemical physics.

Full-Dimensional Quantum Calculations of Vibrational Levels of NH4(+) and Isotopomers on An Accurate Ab Initio Potential Energy Surface.

Hua Guo, Hua-Gen Yu, Huixian Han, 2016, The journal of physical chemistry. A.

Gas-Phase Molecular Dynamics: Quantum Molecular Dynamics of Combustion Reactions and Molecular Spectroscopy Calculations

Hua-Gen Yu, 2006 .

Rotationally resolved spectrum of the Ã(060) X̃(000) band of HCBr

G. Hall, Hua-Gen Yu, T. Sears, 2006 .

Experimental and theoretical studies of the near-infrared spectrum of bromomethylene

J. Muckerman, A. J. Marr, T. González-Lezana, 2001 .

Active Thermochemical Tables: The Partition Function of Hydroxymethyl (CH2OH) Revisited.

B. Ruscic, L. B. Harding, Hua-Gen Yu, 2019, The journal of physical chemistry. A.

Quantum dynamics of the O(3P)+CH4→OH+CH3 reaction: An application of the rotating bond umbrella model and spectral transform subspace iteration

Hua-Gen Yu, G. Nyman, Hua-Gen Yu, 2000 .

Energetics and kinetics of the reaction of HOCO with hydrogen atoms.

J. S. Francisco, Hua-Gen Yu, 2008, The Journal of chemical physics.

Vibrational energy transfer and reactivity in HO+CO collisions

Hua-Gen Yu, J. Muckerman, G. D. Billing, 2002 .

A theoretical study of the potential energy surface for the reaction OH+CO→H+CO2

Trevor J. Sears, J. Muckerman, Hua-Gen Yu, 2001 .

Two-layer Lanczos iteration approach to molecular spectroscopic calculation

Hua-Gen Yu, 2002 .

An exact variational method to calculate vibrational energies of five atom molecules beyond the normal mode approach

Hua-Gen Yu, 2002 .

An efficient grid calculation of vibrational states for H3∗ with geometric phase in hyperspherical coordinates

Hua-Gen Yu, 1997 .

A general rigorous quantum dynamics algorithm to calculate vibrational energy levels of pentaatomic molecules

Hua-Gen Yu, 2009 .

Electronic structure and quantum dynamics of photoinitiated dissociation of O2 on rutile TiO2 nanocluster.

Hua-Gen Yu, P. Dholabhai, 2013, The Journal of chemical physics.

Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations.

Jun Li, Hua Guo, Richard Dawes, 2015, The Journal of chemical physics.

Quantum dynamics of the reaction of hydrogen atom with methane

Hua-Gen Yu, Hua-Gen Yu, 2000 .

THEORETICAL DETERMINATION OF ROVIBRATIONAL ENERGIES AND ANOMALOUS ISOTOPIC EFFECT OF WEAKLY BOUND CLUSTER HXeOH

J. Muckerman, Hua-Gen Yu, 2003 .

The kinetics study of the S + S2 → S3 reaction by the chaperone mechanism.

T. Germann, S. Du, J. S. Francisco, 2011, Journal of Chemical Physics.

Accurate quantum dynamics calculations of vibrational spectrum of dideuteromethane CH2D2.

Hua-Gen Yu, 2015, The Journal of chemical physics.

A five-dimensional quantum scattering model for the type AB+XCD3⇌ABX+CD3 reaction in hyperspherical coordinates: Application to OH+CH4⇌H2O+CH3

Hua-Gen Yu, 2001 .

A four dimensional quantum scattering study of the Cl+CH4⇌HCl+CH3 reaction via spectral transform iteration

G. Nyman, Hua-Gen Yu, 1999 .

Vibrational energy levels of methyl cation

Hua-Gen Yu, T. Sears, 2002 .

The calculation of vibrational eigenstates by MINRES filter diagonalization

Sean C. Smith, Hua-Gen Yu, 1997 .

Optimal spectral filtering in a finite subspace: a Lanczos-based implementation

Sean C. Smith, Jean-Claude Rayez, Hua-Gen Yu, 1999 .

A spectral transform Krylov subspace iteration approach to quantum scattering

G. Nyman, Hua-Gen Yu, 1998 .

Reaction dynamics of chlorine atom with methane: Dual-level ab initio analytic potential energy surface and isotope effects

Hua-Gen Yu, G. Nyman, Hua-Gen Yu, 1999 .

Full-dimensional quantum calculations of vibrational spectra of six-atom molecules. I. Theory and numerical results.

Hua-Gen Yu, 2004, The Journal of chemical physics.

Direct ab initio dynamics study of the OH + HOCO reaction.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2005, The journal of physical chemistry. A.

Density functional theory study of ethylene partial oxidation on Ag7 clusters

Hua-Gen Yu, 2006 .

Energetics and molecular dynamics of the reaction of HOCO with HO(2) radicals.

J. S. Francisco, J. Muckerman, Hua-Gen Yu, 2008, The Journal of chemical physics.

Gas-Phase Molecular Dynamics: Theoretical Studies in Spectroscopy and Chemical Dynamics

J. Muckerman, Hua-Gen Yu, 2010 .

Quantum molecular dynamics study of the reaction of O2 with HOCO.

J. Muckerman, Hua-Gen Yu, 2006, Journal of Physical Chemistry A.

Theoretical study of the reaction of CH3 with HOCO radicals.

Hua-Gen Yu, 2009, The journal of physical chemistry. A.

The simulation of outgoing-wave boundary conditions via a symmetrically damped, Hermitian Hamiltonian operator

Sean C. Smith, Hua-Gen Yu, 1997 .

The kinetics study of the S + S2 → S3 reaction by the chaperone mechanism.

T. Germann, J. S. Francisco, K. Peterson, 2011, The Journal of chemical physics.

Direct ab initio quantum scattering for the H2+OH→H+H2O reaction using Møller–Plesset fourth order perturbation theory

G. Nyman, Hua-Gen Yu, 2000 .

Organic coating on sulfate and soot particles in summer Arctic atmosphere

Junying Sun, Xiaoye Zhang, Weijun Li, 2019 .