01. 
H.G. Yu,
and Z.H. Zhu, “Structure and dynamical feature of groundstate N_{2}H,”
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 groundstate C_{2}H,”
Chinese J. Chem. Phys. (in Chinese), 2, 88
(1989). 
03. 
H.G. Yu
and Z.H. Zhu, “Longrange potential energy function for
groundstate 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 QQ. 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/Al_{2}O_{3}
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 N_{2}H^{+},”
Chinese J. Chem. Res. (in Chinese), 4, 73 (1992). 
08. 
Z.H. Zhu and
H.G. Yu, “Theoretical study of potential energy function
for groundstate molecular ion N_{2}H^{+},”
Chinese J. Chem. Phys. (in Chinese), 5, 110
(1992). 
09. 
H.G. Yu
and R. Zhou, “A classical trajectory study of the reaction O(^{1}D)
+ O_{3}(X^{1}A_{1})
®
2O_{2}(X^{3}S_{g}^{}),”
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(^{1}D) + O_{3}
®
2O_{2},” 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 O_{2}+O_{2},”
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 groundstate O_{4},” Chinese J. Atom Mol. Phys.
(in Chinese), 9, 2252(1992). 
13. 
H.G. Yu
and S.L. Xu, “Dynamics of the He + He_{2}^{+}(v=0)
exchange reaction on a new potential energy surface for
groundstate He_{3}^{+},” Chinese J. Chem.
Phys. 5, 257 (1992). 
14. 
H.G. Yu
and Z.H. Zhu, “The subpartitioned ACQM method calculation for
groundstate H_{4}^{+},” 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 H_{3}^{+},”
Chem. Phys. Lett. 198, 27 (1992). 
16. 
H.G. Yu
and Z.H. Zhu, “The subchannel ACQM method calculation of H_{4}(T_{d}),”
Chinese J. Atom Mol. Phys. (in Chinese), 10, 2807
(1993). 
17. 
H.G. Yu,
Z.H. Zhu and J.Y. Cheng, “Manybody expansion of the potential
energy function for HONO and dynamical study for the reaction of
H + NO_{2},” 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 + HO_{2},” 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
+ O_{3},” 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(^{1}D) + H_{2},”
Chinese J. Atom Mol. Phys. (in Chinese), 10, 2977
(1993). 
21. 
H.G. Yu
and J.Y. Cheng, “Dynamical study of reactive collision of H_{2}
+ 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 CH_{4} 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 CH_{4} 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 solidstate 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 solidstate 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
HZSM5 zeolite catalyst,” Chinese Nat. Gas Chem. Indust.:C_{1}
Chem. & Chem. Indust. (in Chinese), 19, 4 (1994). 
28. 
J.Y. Cheng,
H.G. Yu and H.M. Wang, “FeMo 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 groundstate He_{2}Ne^{+},”
Chinese J. Atom Mol. Phys. (in Chinese), 11, 348
(1994). 
31. 
H.G. Yu,
“The pseudopotential arrangement channel quantum mechanics and
calculations for groundstate Li_{2}(^{1}X_{g}^{+}),”
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)
®
N_{2}(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(^{1}D)
with N_{2}O,” Chinese J. Chem. Res. (in Chinese),
6, 8 (1994). 
34. 
H.G. Yu,
J.Y. Cheng and Z.H. Zhu, “Manybody expansion potential function
for groundstate N_{2}O_{2},” 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 CH_{4} on solid surface,”
J. Nat. Gas Chem. 3, 189 (1994). 
39. 
H.G. Yu
and J.Y. Cheng, “Dynamics of gassurface 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 Si_{4 }+
Si_{3} and Si_{5 }+ Si_{3} cluster
collisions,” Chinese Bul. Sci. (in Chinese), 39,
1672 (1994). 
41. 
H.G. Yu
and J.Y. Cheng, “An empirical potential energy function for
moleculecluster interactions,” Chinese Chem. Lett. 5,
885 (1994). 
42. 
H.G. Yu
and J.Y. Cheng, “Dissociation dynamics of H_{2} on Cu_{6}
isomers,” Chinese. J. Mol. Sci. 10(1/2),
xxxx(1994). 
43. 
H.G. Yu
and J.Y. Cheng, “Dissociation dynamics of D_{2} and H_{2}
on rigid and nonrigid Cu_{7} clusters,” Chem. Phys.
Lett. 226, 183 (1994). 
44. 
H.G. Yu,
“Theoretical studies of the threebody 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 selfdiffusion of an alkali metal
atom on the (100) surface of alkali metal solids: Study of
manybody 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(^{1}D) and N_{2}O by
trajectory calculation and timeresolved 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/Al_{2}O_{3},” 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 + H_{2} and
Mu + D_{2} collisions,” Chem. Phys. 209,
31 (1996). 
52. 
H.G. Yu
and A.J.C. Varandas, “Threedimensional timedependent
wavepacket calculation of the transition state resonances for
MuH_{2} and MuD_{2}: 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 + H_{2} 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
transitionstate resonances and bound vibrational states of H_{3}
via a timedependent 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 H_{3}^{*}
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) + O_{3}
reactions on a double manybody expansion potential energy
surface for groundstate HO_{3},” J. Chem. Soc.
Faraday Trans. 93, 2651 (1997). (invited) 
57. 
A.J.C.
Varandas and H.G. Yu, “Double manybody expansion
potential energy surface for groundstate HO_{3},”
Mol. Phys. 91, 301 (1997). 
58. 
H.G. Yu
and S.C. Smith, “The simulation of outgoingwave boundary
conditions via a symmetrically damped, hermitian
Hamiltonian operator,” J. Chem. Phys. 107, 9985
(1997). 
59. 
H.G. Yu
and S.C. Smith, “Restarted Krylovspace 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 quasiminimum 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 + CH_{4}
®
HCl + CH_{3},” J.
Chem. Phys. 109, 5896 (1998). 
65. 
H.G. Yu
and G. Nyman, “Three dimension quantum scattering calculations
on the Cl + CH_{4}
®
HCl + CH_{3} reaction,”
Phys. Chem. Chem. Phys. 1, 1181 (1999). 
66. 
H.G. Yu
and G. Nyman, “Reaction dynamics of chlorine atom with methane:
duallevel 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 + CH_{4}
«
HCl + CH_{3}
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 + CH_{4}
®
H_{2 }+ CH_{3}
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 S_{N}2 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 Lanczosbased
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 Li_{3} 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(^{3}P) + CH_{4}
®
OH + CH_{3}
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 H_{2} + OH
®
H + H_{2}O reaction using
MfllerPlesset 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 groundstate HO_{3},”
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 CH_{3}
+ HBr
®CH_{4}
+ Br reaction,” J. Phys. Chem. A 105, 2240 (2001). 
83. 
H.G. Yu,
“A fivedimensional quantum scattering model for the type AB +
XCD_{3}
«ABX
+ CD_{3} reaction in hyperspherical coordinates:
Application to OH + CH_{4}
«H_{2}O
+ CH_{3},” 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 + CO_{2},” Chem. Phys. Lett. 349, 547
(2001). 
85. 
H.G. Yu,
T. GonzalezLezana, A. J. Marr, J. T. Muckerman and T. J. Sears,
“Experimental and theoretical studies of the nearIR spectrum of
bromomethylene,” J. Chem. Phys. 115, 5433 (2001). 
86. 
H.G. Yu,
J. T. Muckerman and T. J. Sears, “A Kdependent adiabatic
approximation to the RennerTeller 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 twolayer Lanczos algorithm,”
Chem. Phys. Lett.
365, 189 (2002); (Erratum) 367, 791 (2003). 
*88. 
H.G. Yu,
“Twolayer 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 tetraatom 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, “Axisswitching 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 CH_{3}OH and direct ab initio
dynamics calculations of the O(^{1}D) + CH_{4}
reactions,” J. Phys. Chem. A 108, 8615, (2004). 
97. 
H.G. Yu
and J.T. Muckerman, “Exploring the multiple reaction pathways
for the H + cycC_{3}H_{6} reaction,” J.
Phys. Chem. A 108, 10844, (2004). 
98. 
H.G. Yu,
“Converged quantum dynamics calculations of vibrational energies
of CH_{4} and CH_{3}D using an ab initio
potential,” J. Chem. Phys. 121, 6334 (2004). 
*99. 
H.G. Yu,
“Fulldimension quantum calculations of vibrational spectra of
sixatom 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 lowlying
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 jetcooled
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 O_{2}
plus HOCO reaction,” J. Phys. Chem. A 111, 5312
(2006). 
107. 
H.G. Yu,
“Density functional theory study of ethylene partial oxidation
on Ag_{7} 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 GeCl_{2 }XA transition,” J.
Chem. Phys. 125, 114316 (2006). 
109. 
H.G. Yu,
“A rigorous fulldimensional quantum dynamics calculation of the
vibrational energies of H_{3}O_{2}^{},”
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 HO_{3}(X^{2}A²),”
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 HO_{2}
radicals,” J. Chem. Phys. 129, 214307 (2008). 
118. 
H.G. Yu
and J.S. Francisco, “A theoretical study of the reaction of CH_{3}
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, 10011059 (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).
