Hua-Gen Yu
Research Overview
Publication List

 

 

Hua-Gen Yu Publication List:

 

    01.

H.-G. Yu, and Z.H. Zhu, “Structure and dynamical feature of ground-state N2H,” J. Chengdu Univ. Sci. Tech. (in Chinese), 4, 67 (1989).

    02.

H.-G. Yu, Z.R. Xu and Z.H. Zhu, “Ab initio calculation and potential energy surface of ground-state C2H,” Chinese J. Chem. Phys. (in Chinese), 2, 88 (1989).

    03.

H.-G. Yu and Z.H. Zhu, “Long-range potential energy function for ground-state diatomics,” Chinese J. Atom Mol. Phys. (in Chinese), 7, 1537 (1990).

    04.

Z.H. Zhu, Y.M. Cheng, H.-G. Yu, Z.R. Xu and Q-Q. Gou, “A classical trajectory study based on MBE potential energy function: Reactive collision of C + CH,” Chinese J. Atom Mol. Phys. 7, 1693 (1990).

    05.

J.Y.Cheng and H.-G. Yu, “Effect of rare earth oxides on Ni/Al2O3 catalyst for the steam reforming of methane,” J. Nat. Gas Chem. 1, 129 (1992).

    06.

H.-G. Yu and J.Y. Cheng, “A model potential for chemisorption: CO + Ni(100),” J. Nat. Gas Chem. 1, 214 (1992).

    07.

H.-G. Yu and J.Y. Cheng, “Calculations of anharmonic force field and anharmonicity constant for N2H+,” Chinese J. Chem. Res. (in Chinese), 4, 73 (1992).

    08.

Z.H. Zhu and H.-G. Yu, “Theoretical study of potential energy function for ground-state molecular ion N2H+,” Chinese J. Chem. Phys. (in Chinese), 5, 110 (1992).

    09.

H.-G. Yu and R. Zhou, “A classical trajectory study of the reaction O(1D) + O3(X1A1) ®  2O2(X3Sg-),” Chinese J. Chem. Phys. (in Chinese), 5, 173 (1992).

    10.

H.-G. Yu, J.Y. Cheng and Z.H. Zhu, “QCT study of rate constant of the reaction O(1D) + O3 ®  2O2,” Chinese J. Atom Mol. Phys. (in Chinese), 9, 2299 (1992).

    11.

H.-G. Yu, Z.H. Zhu and Y. Sun, “Reactive and inelastic collision of O2+O2,” Chinese. J. Atom Mol. Phys. (in Chinese), 9, 2353 (1992).

    12.

H.-G. Yu, Z.H. Zhu and Y.B. Fu, “The analytical potential energy function for ground-state O4,” Chinese J. Atom Mol. Phys. (in Chinese), 9, 2252(1992).

    13.

H.-G. Yu and S.L. Xu, “Dynamics of the He + He2+(v=0) exchange reaction on a new potential energy surface for ground-state He3+,” Chinese J. Chem. Phys. 5, 257 (1992).

    14.

H.-G. Yu and Z.H. Zhu, “The subpartitioned ACQM method calculation for ground-state H4+,” Chinese J. Atom Mol. Phys. (in Chinese), 9, 2209 (1992).

    15.

H.-G. Yu, Z.H. Zhu and Q.Q. Gou, “Subchannel method for arrangement channel quantum mechanics (ACQM): Application to ground state H3+,” Chem. Phys. Lett. 198, 27 (1992).

    16.

H.-G. Yu and Z.H. Zhu, “The subchannel ACQM method calculation of H4(Td),” Chinese J. Atom Mol. Phys. (in Chinese), 10, 2807 (1993).

    17.

H.-G. Yu, Z.H. Zhu and J.Y. Cheng, “Many-body expansion of the potential energy function for HONO and dynamical study for the reaction of H + NO2,” Chinese J. Atom Mol. Phys. (in Chinese), 10, 2809 (1993).

    18.

H.-G. Yu and S.Y. Shen, “A theoretical study of the reactive collision of O + HO2,” J. Chengdu Univ. Sci. Tech. (in Chinese), 73, 40 (1993).

    19.

H.-G. Yu and S.Y. Shen, “Theoretical study of the reactive collision of H + O3,” J. Chengdu Univ. Sci. Tech. (in Chinese), 70, 45 (1993).

    20.

H.-G. Yu and J.Y. Cheng, “Dynamical study of Ehrenfest model for nonadiabatic collision of O(1D) + H2,” Chinese J. Atom Mol. Phys. (in Chinese), 10, 2977 (1993).

    21.

H.-G. Yu and J.Y. Cheng, “Dynamical study of reactive collision of H2 + H on Ni(100) surface,” Chinese J. Atom Mol. Phys. (in Chinese), 10, 2623 (1993).

    22.

H.-G. Yu and J.Y.Cheng, “The activated chemisorption of methane on nickel III. Dissociation probability of CH4 on Ni(100) surface,” J. Nat. Gas Chem. 2, 212 (1993).

    23.

H.-G. Yu and J.Y.Cheng, “The activated chemisorption of methane on nickel II. Dissociation dynamics of CH4 on Ni(111) surface,” J. Nat. Gas Chem. 2, 129 (1993).

    24.

H.-G. Yu and J.Y.Cheng, “The activated chemisorption of methane on nickel I. The quantum tunneling calculations of sticking probability,” J. Nat. Gas Chem. (Chengdu), 2, 30 (1993).

    25.

H.-G. Yu and J.Y. Cheng, “Instability and (2´1) reconstruction of Ge(001) surface from solid-state potentials,” Chinese Chem. Lett. 4, 621 (1993).

    26.

H.-G. Yu and J.Y. Cheng, “The asymmetric (2´1) reconstruction of Ge(001) surface from solid-state potentials,” Chinese J. Chem. Phys. (in Chinese), 7, 443 (1994).

    27.

J.Y. Cheng, H.-G. Yu and H.M. Wang, “Synthesis of methylal over HZSM-5 zeolite catalyst,” Chinese Nat. Gas Chem. Indust.:C1 Chem. & Chem. Indust. (in Chinese), 19, 4 (1994).

    28.

J.Y. Cheng, H.-G. Yu and H.M. Wang, “Fe-Mo oxide catalysts for preparation of concentration formaldehyde by methylal oxidation,” Chinese Synth. Chem. (in Chinese), 2, 371 (1994).

    29.  

H.-G. Yu and S.Y. Shen, “Programs for plotting potential energy surface,” J. Chengdu Univ. Sci. Tech. (in Chinese), 76, 25 (1994).

    30.

Z.H. Zhu and H.-G. Yu, “A theoretical calculation of molecular structure for ground-state He2Ne+,” Chinese J. Atom Mol. Phys. (in Chinese), 11, 348 (1994).

    31.

H.-G. Yu, “The pseudopotential arrangement channel quantum mechanics and calculations for ground-state Li2(1Xg+),” Chinese J. Atom Mol. Phys. (in Chinese), 11, 383 (1994).

    32.

M.H. Shan, Z.H. Zhu, H.-G. Yu and X.R. Xu, “A study of the atom and molecular ion reaction N + NH+(0,0) ® N2(v',j') + H+,” Chinese J. Atom Mol. Phys. (in Chinese), 11, 377 (1994).

    33.

H.-G. Yu and J.Y. Cheng, “Theoretical study of reactive collision of O(1D) with N2O,” Chinese J. Chem. Res. (in Chinese), 6, 8 (1994).

    34.

H.-G. Yu, J.Y. Cheng and Z.H. Zhu, “Many-body expansion potential function for ground-state N2O2,” Chinese J. Chem. Phys. (in Chinese), 7, 124 (1994).

    35.

H.-G. Yu and J.Y. Cheng, “Dynamical study of reaction of oxygen molecule with carbon atom adsorbed on Ni(100) surface II. Trajectory calculations,” Chinese J. Catalyst (in Chinese), 15, 54 (1994).

    36.

H.-G. Yu and J.Y. Cheng, “Dynamical study of reaction of oxygen molecule with carbon atom adsorbed on Ni(100) surface I. Potential energy surface,” Chinese J. Cat. (in Chinese), 15, 50 (1994).

    37.

H.-G. Yu and J.Y. Cheng, “Dynamical study of dissociative chemisorption of methane on Ni(100) with preadsorbed oxygen,” Chinese J. Cat. (in Chinese), 15, 239 (1994).

    38.

H.-G. Yu and J.Y. Cheng, “Wigner distribution trajectory method for dissociative collision of CH4 on solid surface,” J. Nat. Gas Chem. 3, 189 (1994).

    39.

H.-G. Yu and J.Y. Cheng, “Dynamics of gas-surface interactions: Reaction of molecular oxygen with adsorbed carbon on nickel,” J. Nat. Gas Chem. (Chengdu), 3, 90 (1994).

    40.

H.-G. Yu, Z.R. Xu and J.Y. Cheng, “Molecular dynamics of Si4 + Si3 and Si5 + Si3 cluster collisions,” Chinese Bul. Sci. (in Chinese), 39, 1672 (1994).

    41.

H.-G. Yu and J.Y. Cheng, “An empirical potential energy function for molecule-cluster interactions,” Chinese Chem. Lett. 5, 885 (1994).

    42.

H.-G. Yu and J.Y. Cheng, “Dissociation dynamics of H2 on Cu6 isomers,” Chinese. J. Mol. Sci. 10(1/2), xxxx(1994).

    43.

H.-G. Yu and J.Y. Cheng, “Dissociation dynamics of D2 and H2 on rigid and nonrigid Cu7 clusters,” Chem. Phys. Lett. 226, 183 (1994).

    44.

H.-G. Yu, “Theoretical studies of the three-body recombination of the muonic helium ion (Hem-)+ in gaseous helium,” Phys. Lett. B 341, 128 (1994).

    45.

H.-G.Yu, “Dynamic studies of the reaction H+ + He + He ® HHe+ He,” Chinese J. Chem. 13, 408 (1995).

    46.

M.H. Shan, Z.H. Zhu, Z.R. Xu and H.-G. Yu, “Study on the atom and molecular ion reaction N' + NH+(0,0) ® N + N'H+(v',j'),” Chinese J. Chem. Phys. (in Chinese), 8, 291 (1995).

    47.

H.-G.Yu, “Wavefunction for arrangement channel quantum mechanics calculations,” Chinese J. Atom Mol. Phys. (in Chinese), 12, 78 (1995).

    48.

H.-G. Yu and Z.H. Zhu, “Adsorption and self-diffusion of an alkali metal atom on the (100) surface of alkali metal solids: Study of many-body expansion potential energy function,” Chinese J. Atom Mol. Phys. (in Chinese), 12, 187 (1995).

    49.

X.B. Wang, H.Z. Li, Q.H. Zhu, F.H. Kong and H.-G. Yu, “A study on the reaction of O(1D) and N2O by trajectory calculation and time-resolved FTIR spectroscopy,” J. Chin. Chem. Soc. (Tawain), 42, 399 (1995).

    50.

Y.C. Zhou, H.-G. Yu, H.M. Wang and J.Y. Cheng, “Fractal analysis of catalyst NiO/-Al2O3,” J. Nat. Gas Chem. (Chengdu), 4, 434 (1995).

    51.

A.J.C. Varandas and H.-G. Yu, “Spectral quantization of transition state resonances in collinear Mu + H2 and Mu + D2 collisions,” Chem. Phys. 209, 31 (1996).

    52.

H.-G. Yu and A.J.C. Varandas, “Three-dimensional time-dependent wavepacket calculation of the transition state resonances for MuH2 and MuD2: Resonance energies and widths,” J. Phys. Chem. 100, 14598 (1996).

    53.

A.J.C. Varandas and H.-G. Yu, “Theoretical 3D study of transition state resonances for the H + H2 reaction using two coupled diabatic potential energy surfaces,” Chem. Phys. Lett. 259, 336 (1996).

    54.

A.J.C. Varandas and H.-G. Yu, “Geometric phase effects on transition-state resonances and bound vibrational states of H3 via a time-dependent wavepacket method,” J. Chem. Soc. Faraday Trans. 93, 819 (1997); (Erratum) 93, 3599 (1997). (invited)

    55.

H.-G. Yu, “An efficient grid calculations of vibrational states for H3* with geometric phase in hyperspherical coordinates,” Chem. Phys. Lett. 281, 312 (1997).

    56.

A.J.C. Varandas and H.-G. Yu, “Dynamics of the H(D) + O3 reactions on a double many-body expansion potential energy surface for ground-state HO3,” J. Chem. Soc. Faraday Trans. 93, 2651 (1997). (invited)

    57.

A.J.C. Varandas and H.-G. Yu, “Double many-body expansion potential energy surface for ground-state HO3,” Mol. Phys. 91, 301 (1997).

    58.

H.-G. Yu and S.C. Smith, “The simulation of outgoing-wave boundary conditions via a symmetrically damped, hermitian Hamiltonian operator,” J. Chem. Phys. 107, 9985 (1997).

    59.

H.-G. Yu and S.C. Smith, “Restarted Krylov-space spectral filtering,” J. Chem. Soc. Faraday Trans. 93, 861 (1997).

  *60.

H.-G. Yu and S.C. Smith, “The calculation of vibrational eigenstates by MINRES filter diagonalization,” Ber. Buns. Phys. Chem. 101, 400 (1997) (invited).

    61.

H.-G. Yu and S.C. Smith, “The elimination of Lanczos ghosting effects by MINRES filter diagonalization,” J. Comput. Phys. 143, 484 (1998).

    62.

H.-G. Yu and S.C. Smith, “Calculation of quantum resonance energies and lifetimes via quasi-minimum residual filter diagonalization,” Chem.Phys. Lett. 283, 69 (1998).

    63.

H.-G. Yu and G. Nyman, “A spectral transform Krylov subspace iteration approach to quantum scattering,” Chem. Phys. Lett. 298, 27 (1998).

    64.

G. Nyman, H.-G. Yu and R.B. Walker, “Reduced dimensionality quantum scattering calculations on the Cl + CH4 ® HCl + CH3,” J. Chem. Phys. 109, 5896 (1998).

    65.

H.-G. Yu and G. Nyman, “Three dimension quantum scattering calculations on the Cl + CH4 ® HCl + CH3 reaction,” Phys. Chem. Chem. Phys. 1, 1181 (1999).

    66.

H.-G. Yu and G. Nyman, “Reaction dynamics of chlorine atom with methane: dual-level ab initio analytic potential energy surface and isotope effects,” J. Chem. Phys. 111, 6693 (1999).

  *67.

H.-G. Yu and G. Nyman, “A 4D quantum scattering study of the Cl + CH4 « HCl + CH3 reaction via spectral transform iteration,” J. Chem. Phys. 110, 7233 (1999).

    68.

H.-G. Yu and G. Nyman, “Four dimensional quantum scattering calculations on the H + CH4 ® H2 + CH3 reaction,” J. Chem. Phys. 111, 3508 (1999).

    69.

H.-G. Yu and G. Nyman, “An application of the rotating line umbrella model to quantum dynamics of SN2 reactions,” Chem. Phys. Lett. 312, 585 (1999).

    70.

S.C. Smith, H.-G. Yu, C. Leforestier and J.-C. Rayez, “Optimal spectral filtering in a finite subspace: A Lanczos-based implementation,” Phys. Chem. Chem. Phys. 1, 1311 (1999).

    71.

A.J.C. Varandas, H.-G. Yu and Z.R. Xu, “Vibrational spectrum of ground state Li3 and statistical analysis of the energy levels,” Mol. Phys. 96, 1193 (1999).

    72.

H.-G. Yu and G. Nyman, “Spectral transformation and filter diagonalization,” in Rovibrational Bound States in Polyatomic Molecules, M.M. Law, I.A. Atkinson and J.M. Hutson eds., pp.27, (CCP6, Daresbury, UK, 1999).

    73.

H.-G. Yu and G. Nyman, “A spectral transform minimum residual filter diagonalization method for interior eigenvalues of physical systems,” J. Chem. Phys. 110, 11133 (1999).

    74.

A.J.C. Varandas and H.-G. Yu, “Dimensionality effects on transition state resonances for H + DH and D + HD reactive collisions,” J. Mol. Struct. (THEOCHEM), 493, 81 (1999).

    75.

H.-G. Yu and G. Nyman, “Quantum dynamics of the O(3P) + CH4 ® OH + CH3 reaction: An application of rotating bond umbrella model and spectral transform subspace iteration,” J. Chem. Phys. 112, 238 (2000).

    76.

H.-G. Yu and G. Nyman, “Direct ab initio quantum scattering for the H2 + OH ® H + H2O reaction using Mfller-Plesset fourth order perturbation theory,” J. Chem. Phys. 112, 3935 (2000).

    77.

H.-G. Yu, S. Andersson and G. Nyman, “A generalized discrete variable representation approach to interpolating or fitting potential energy surfaces,” Chem. Phys. Lett. 321, 275 (2000).

    78.

H.-G. Yu and G. Nyman, “Interpolated ab initio quantum scattering for the reaction of OH with HCl,” J. Chem. Phys. 113, 8936 (2000).

    79.

H.-G. Yu, “Quantum dynamics of the reaction of hydrogen atom with methane,” Chem. Phys. Lett. 332, 538 (2000).

    80.

H.-G. Yu, “Quantum reaction scattering for polyatomic systems,” (Ph.D Thesis, Göteborg University, 2000).

    81.

H.-G. Yu and A.J.C. Varandas, “Ab Initio theoretical calculation and potential energy surface for ground-state HO3,” Chem. Phys. Lett. 334, 173 (2001).

    82.

H.-G.Yu and G. Nyman, “An interpolated ab initio quantum scattering study of temperature dependence for the CH3 + HBr ®CH4 + Br reaction,” J. Phys. Chem. A 105, 2240 (2001).

    83.

H.-G. Yu, “A five-dimensional quantum scattering model for the type AB + XCD3 «ABX + CD3 reaction in hyperspherical coordinates: Application to OH + CH4 «H2O + CH3,” J. Chem. Phys. 114, 2967 (2001).

    84.

H.-G. Yu, J. T. Muckerman and T. J. Sears, “A theoretical study of the potential energy surface for the reaction HO + CO ® H + CO2,” Chem. Phys. Lett. 349, 547 (2001).

    85.

H.-G. Yu, T. Gonzalez-Lezana, A. J. Marr, J. T. Muckerman and T. J. Sears, “Experimental and theoretical studies of the near-IR spectrum of bromomethylene,” J. Chem. Phys. 115, 5433 (2001).

    86.

H.-G. Yu, J. T. Muckerman and T. J. Sears, “A K-dependent adiabatic approximation to the Renner-Teller effect for triatomic molecules,” J. Chem. Phys. 116, 1435 (2002).

    87.

H.-G. Yu, “Accelerating the calculation of the rovibrational energies of tetratomic molecules using a two-layer Lanczos algorithm,” Chem. Phys. Lett. 365, 189 (2002); (Erratum) 367, 791 (2003).

  *88.

H.-G. Yu, “Two-layer Lanczos iteration approach to molecular spectroscopic calculation,” J. Chem. Phys. 117, 8190 (2002).

    89.

H.-G. Yu, “An exact variational method to calculate vibrational energies of five atom molecules beyond the normal mode approach,” J. Chem. Phys. 117, 2030 (2002).

    90.

H.-G. Yu and T.J. Sears, “Vibrational energy levels of methyl cation,” J. Chem. Phys. 117, 666 (2002).

    91.

H.-G. Yu and J.T. Muckerman, “A general variational algorithm to calculate vibrational energy levels of tetra-atom molecules,” J. Mol. Spectrosc. 214, 11 (2002).

    92.

A. Lin, K. Kobayashi, H.-G. Yu, G.E. Hall, J.T. Muckerman, T.J. Sears, and A.J. Merer, “Axis-switching and Coriolis coupling in the A(010)-X(000) transitions of DCCl and HCCl,” J. Mol. Spectrosc. 214, 216 (2002).

    93.

G.D. Billing, T.J. Muckerman and H.-G. Yu, “Vibrational energy transfer and reactivity in HO + CO Collision,” J. Chem. Phys. 117, 4755 (2002).

    94.           

H.-G. Yu and J. T. Muckerman, “Quantum dynamics of the photoinitiated unimolecular dissociation of HOCO,” J. Chem. Phys. 117, 11139 (2002).

    95.

H.-G. Yu and J.T. Muckerman, “Theoretical determination of rovibrational energies and anomalous isotopic effect of weakly bound cluster of HXeOH,” J. Theor. Comput. Chem. 2, 573 (2003).

    96.

H.-G. Yu and J.T. Muckerman,“MRCI calculations of the lowest potential surface for CH3OH and direct ab initio dynamics calculations of the O(1D) + CH4 reactions,” J. Phys. Chem. A 108, 8615, (2004).

    97.

H.-G. Yu and J.T. Muckerman, “Exploring the multiple reaction pathways for the H + cyc-C3H6 reaction,” J. Phys. Chem. A 108, 10844, (2004).

    98.

H.-G. Yu, “Converged quantum dynamics calculations of vibrational energies of CH4 and CH3D using an ab initio potential,” J. Chem. Phys. 121, 6334 (2004).

  *99.

H.-G. Yu, “Full-dimension quantum calculations of vibrational spectra of six-atom molecules I. Theory and numerical results,” J. Chem. Phys. 120, 2270 (2004).

*100.

H.-G. Yu and J.T. Muckerman, “Ab initio and direct dynamics studies of the reaction of singlet methylene with acetylene and the lifetime of the cyclopropene complex,” J. Phys. Chem. A 109, 1890 (2005).

  101.

H.-G.Yu, J.T. Muckerman and J.S. Francisco, “Direct ab initio dynamics study of the OH + HOCO reaction,” J. Phys. Chem. A 109, 5230 (2005).

*102.

H.-G. Yu, “A coherent discrete variable representation method for multidimensional systems in physics,” J. Chem. Phys. 122, 164107 (2005).

  103.

H.-G. Yu, T.J. Sears and J.T. Muckerman, “Potential energy surfaces and vibrational energy levels of DCCl and HCCl in three low-lying states,” Mol. Phys. 104, 47 (2006).

  104.

G.E. Hall, T.J. Sears and H.-G. Yu, “Rotationally resolved spectrum of the A(060)-X(000) band of HCBr,” J. Mol. Spectrosc. 235, 125 (2006).

  105.

Z. Wang, R.G. Bird, H.-G. Yu and T.J. Sears, “Hot bands in jet-cooled and ambient temperature spectra of chloromethylene,” J. Chem. Phys. 123, 074314 (2006).

  106.

H.-G. Yu and J.T. Muckerman, “Quantum molecular dynamics study of the O2 plus HOCO reaction,” J. Phys. Chem. A 111, 5312 (2006).

  107.

H.-G. Yu, “Density functional theory study of ethylene partial oxidation on Ag7 cluster,” Chem. Phys. Lett. 431, 236 (2006).

  108.

H.-G. Yu and T.J. Sears, “A clue to the diffuse structure in ultraviolet spectra of the GeCl2 X-A transition,” J. Chem. Phys. 125, 114316 (2006).

  109.

H.-G. Yu, “A rigorous full-dimensional quantum dynamics calculation of the vibrational energies of H3O2-,” J. Chem. Phys. 125, 204306 (2006).

  110.

H.-G. Yu, “Ab initio molecular dynamics simulation of photodetachment reaction of cyclopentoxide,” Chem. Phys. Lett. 441, 20 (2007).

  111.

H.-G. Yu, J.T. Muckerman and J.S. Francisco, “Quantum force molecular dynamics study of the O atoms with HOCO reaction,” J. Chem. Phys. 127, 094302 (2007).

  112.

W.-Q. Han, H.-G. Yu, C. Zhi, J. Wang, Z. Liu, T. Sekiguchi and Y. Bando, “Bandgap properties of boron nitride nanotubes,” Nano Lett. 10, 491 (2008).

  113.

B.J. Braams and H.-G. Yu, “Potential energy surface and quantum dynamics study of the rovibrational states of HO3(X2A²),” Phys. Chem. Chem. Phys. 10, 3150 (2008).

*114.

H.-G. Yu, “A spherical electron cloud hopping model for studying product branching ratios of dissociative recombination,” J. Chem. Phys. 128, 194106 (2008).

  115.

H.-G. Yu and J.S. Francisco, “Energetics and kinetics of the reaction of HOCO with hydrogen atoms,” J. Chem. Phys. 128, 244315 (2008).

  116.

H.-G. Yu, J.S. Francisco and J.T. Muckerman, “Ab initio and direct dynamics study of the reaction of Cl atoms with HOCO,” J. Chem. Phys. 129, 064301 (2008).

  117.

H.-G. Yu, G. Poggi, J.S. Francisco and J.T. Muckerman, “Energetics and molecular dynamics of the reaction of HOCO with HO2 radicals,” J. Chem. Phys. 129, 214307 (2008).

  118.

H.-G. Yu and J.S. Francisco, “A theoretical study of the reaction of CH3 with HOCO radicals,” J. Phys. Chem. A (accepted, 2008).

  119.

H.-G. Yu, “A SECH molecular dynamics simulation on dissociative recombination of protonated water,” J. Chem. Phys. (submitted, 2008).

  120.

H.-G. Yu and J.S. Francisco, “Ab initio and RRKM study of the reaction of ClO with HOCO radicals,” Phys. Chem. Chem. Phys., (submitted, 2009) (invited)

 

Invited Reviews:

1.             G. Nyman and H.-G. Yu, “Quantum theory of bimolecular chemical reactions,” Rep. Prog. Phys. 63, 1001-1059 (2000).

2.             G. Nyman and H.-G. Yu, “Iterative digonalization of large sparse matrix by using spectral transformation and filter diagonalization,” J. Comp. Meth. Sci. Eng. 1, 229 (2001).

 

Books:

1.             Z. H. Zhu and H.-G. Yu, Molecular Structure and Potential Energy Functions (in Chinese), (Science Press of China, Beijing, 1997).

 

 

 Last update on: January 27, 2009