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List of publications 1969-2003
Gert Due Billing Department of Chemistry, H. C. Ø rsted
Institute 2100 Copenhagen Ø, Denmark
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References
- G. D. Billing,
"The rate constant for dissociation of diatomic molecules (in Danish).
(M. Sc. report 1969)"
- G. D. Billing and K. Andersen,
"Numerical solution of chemical kinetic differential equations (in Danish).
Report no.5, Chemistry Laboratory III, University of Copenhagen, 1971"
- G. D. Billing,
"The importance of multiple quantum transitions on the dissociation
constant of hydrogen in an inert gas",
Chem. Phys. Lett. 14(1972)274-278.
- G. D. Billing,
"Semiclassical three-dimensional model for vibrational relaxation",
J. Chem. Phys. 57(1972)5341-5350.
- G. D. Billing,
"The semiclassical method in inelastic scattering theory (in Danish).
(Ph. D. report 1972)".
- G. D. Billing,
"The SSH theory for molecular relaxation (in Danish) 1973".
- P. E. Poulev, J. F. Pedersen, J. F. Nielsen, A. Northeved and
G. D. Billing,
"Myocardial contraction velocity and acceleration in man measured by
ultrasound echocardiography differentiation",
Cardiovascular Research 7(1973)266-276.
- G. D. Billing,
"WKB approximations in inelastic scattering theory".
J. Chem. Phys. 59(1973)6147-6152.
- G. D. Billing,
"Semiclassical three-dimensional inelastic scattering theory",
J. Chem. Phys. 61(1974)3340-3343.
- G. D. Billing,
"Semiclassical three-dimensional model for vibrational enregy transfer in
diatomic molecules",
Chem. Phys. 5(1974)244-254.
- G. D. Billing,
"Semiclassical three-dimensional model for vibrational relaxation II",
J. Chem. Phys. 62(1975)1480-1487.
- G. D. Billing,
Ön the applicability of the classical trajectory equations in inelastic
scattering theory",
Chem. Phys. Lett. 30(1975)391-393.
- A. Hunding and G. D. Billing,
"Nonlinear constrained optimization"
RECKU publication, University of Copenhagen 1975.
- G. D. Billing,
"Semiclassical calculations of vibrational/rotational transitions in the
He-H2 system",
Chem. Phys. 9(1975)359-369.
- G. D. Billing,
Ön the best average trajectory in the vincinity of energetic threshold",
J. Chem. Phys. 64(1976)908-909.
- G. D. Billing and E. R. Fisher,
"VV and VT rate coefficients in H2 by a quantum-classical model",
Chem. Phys. 18(1976)225-232.
- C. Nyeland and G. D. Billing,
"Rotational relaxation of polar molecules",
Chem. Phys. 13(1976)417-424.
- G. D. Billing,
"Semiclassical calculation of vibrational/rotational transitions in
Li+ + H2",
Chem. Phys. 14(1976)267-273.
- H. Essen, G. D. Billing and M. Baer,
"Comparison of quantum mechanical and classical mechanical calculation of
collinear reaction rate constants for H + Cl2 and D + Cl2 systems",
Chem. Phys. 17(1976)443-449.
- G. D. Billing,
"The semiclassical coupled states method",
J. Chem. Phys. 17(1976)443-449.
- G. D. Billing,
"Semiclassical collision theory",
CECAM report of workshop on collisions 1975 pp 193-207.
- G. D. Billing and A. Hunding,
Ön the fitting of analytical potential energy surfaces by constrained
optimization", Chem. Phys. Lett. 44(1976)30-35.
- G. D. Billing,
"Rotational and vibrational relaxation of hydrogen and deuterium",
Chem. Phys. 20(1977)35-42.
- C. Nyeland. and G. D. Billing,
"Thermal conductivities of ortho and para hydrogen",
Chem. Phys. 22(1977)89-93.
- G. D. Billing and M. Baer,
Ä Propagator method for integration of classical trajectory equations",
Chem. Phys. Lett. 48(1977)342-346.
- G. D. Billing,
"Comparison of quantum mechanical and semiclassical cross sections for
rotational excitation of hydrogen",
Chem. Phys. Lett. 50(1977)320-323.
- L. L. Poulsen, G. D. Billing and J. I. Steinfeld,
"Temperature dependence of HF vibrational relaxation",
J. Chem. Phys. 68(1978)5121-5127.
- G. D. Billing, B. C. Eu and C. Nyeland,
Ä stochastic theory of collision phenomena: One dimensional atom-diatom
collision model",
Chem. Phys. 29(1978)427-443.
- G. D. Billing,
"Cross sections and rate constants for rotational and vibrational excitation of
H2 and D2 colliding with 4He",
Chem. Phys. 30(1978)387-400.
- G. D. Billing and L. L. Poulsen,
"Theory of V-V and V-T/R energy transfer for HF(n=1 to 7) + HF(0)",
J. Chem. Phys. 68(1978)5128-5138.
- C. Nyeland and G. D. Billing,
"Rotational relaxation of homonuclear diatomic molecules",
Chem. Phys. 30(1978)401-406.
- G. D. Billing,
Ön a semi-classical approach to energy transfer in polyatomic molecules",
Chem. Phys. 33(1978)227-247.
- G. D. Billing and A. Hunding,
"Bifurcation analysis of nonlinear reaction-diffusion systems",
J. Chem. Phys. 69(1978)3603-3610.
- G. D. Billing,
Ïntroduction to the theory of inelastic collisions in chemical kinetics",
Doctoreal Thesis, University of Copenhagen 1978.
- L. L. Poulsen and G. D. Billing,
"Calculation of vibrational deactivation of HF(1 £ n £ 7) by
DF(0) and of DF(1 £ n £ 7) by HF(0)",
Chem. Phys. 36(1979)271-281.
- G. D. Billing,
"Semiclassical calculation of rotational transitions in Li+ + N2",
Chem. Phys. 36(1979)127-134.
- C. Nyeland and G. D. Billing,
Äpproximative treatments of rotational relaxation",
Chem. Phys. 40(1979)103-110.
- G. D. Billing,
"Semiclassical calculation of energy transfer in polyatomic molecules,
I: The N2 + CO2 system",
Chem. Phys. 41(1979)11-20.
- G. D. Billing and L. L. Poulsen,
Ön the use of perturbation theory in the asymptotic region of classical
trajectories",
Chem. Phys. Lett. 66(1979)177-182.
- G. D. Billing and E. R. Fisher,
"VV and VT rate coefficients in N2 by a quantum-classical model",
Chem. Phys. 45(1980)359-369.
- A. Hunding and G. D. Billing,
"Secondary bifurcations in spherical reaction-diffusion systems",
Chem. Phys. 45(1980)359-369.
- G. D. Billing,
"Semiclassical calculation of energy transfer in polyatomic molecules.
II: The effect of anharmonic coupling terms",
Chem. Phys. 46(1980)123-131.
- L. L. Poulsen and G. D. Billing,
"Vibrational deactivation of DF",
Chem. Phys. 45(1980)287-296.
- G. D. Billing, B. C. Eu, N. Garisto-Zaritsky and C. Nyeland,
Ä Stochastic-Collision Complex Model Theory of Chemical Reactions",
J. Chem. Phys. 73(1980)1627-1636.
- G. D. Billing,
"Semiclassical calculation of energy transfer in polyatomic molecules.
III: Rate constants for energy transfer in Ne + CO2",
Chem. Phys. 49(1980)255-265.
- L. L. Poulsen and G. D. Billing,
Ä classical trajectory study of the fath of vibrational energy released in
HF", Chem. Phys. 53(1980)389-401.
- G. D. Billing,
"Semiclassical calculation of energy transfer in polyatomic molecules.
IV: A graphic method for solution of the M-quantum case",
Chem. Phys. 51(1980)417-426.
- G. D. Billing,
"Vibration/vibration energy transfer in CO colliding with 14N2,
14N15N and 15N2",
Chem. Phys. 50(1980)165-173.
- M. Capitelli, C. Gorse and G. D. Billing,
"V-V pumping up in non-equilibrium nitrogen: Effects on the dissociation
rate", Chem. Phys. 52(1980)299-304.
- G. D. Billing,
"Semiclassical calculation of cross sections and rate constants for
vibrational deactivation of HD(v=1) colliding with 4He",
Chem. Phys. Lett. 75(1980)254-259.
- A. Hunding and G. D. Billing,
"Bipolar dissipative structure emerging directly in a spherical nonlinear
reaction-diffusion system",
J. Chem. Phys. 75(1981)486-488.
- G. D.Billing,
"Semiclassical calculation of the rate constant for the process N2(v=1)
+ N2(v=0) ® 2 N2(v=0) + 2330.7 cm-1 at low
temperatures",
Chem. Phys. Lett. 76(1980)178-182.
- M. Cacciatore and G. D. Billing,
"Semiclassical calculation of VV and VT reate coefficients in CO",
Chem. Phys. 58(1981)395-407.
- C. Nyeland and G. D. Billing,
"Classical path sudden approximation: Calculation of rotational relaxation",
Chem. Phys. 60(1981)359-367.
- G. D. Billing,
"Semiclassical calculations of energy transfer in polyatomic molecules.
V. Differential cross sections for excitation of CO2 and N2O
colliding with Li+ at E = 4.72 eV",
Chem. Phys. 60(1981)199-213.
- G. D. Billing,
"Semiclassical calculation of enrgy transfer in polyatomic molecules.
VI. On the theory for linear triatomic molecules",
Chem. Phys. 61(1981)415-430.
- G. Jolicard and G. D. Billing,
"Stochastic theory for molecular collisions in the perturbed stationary
state formulation", Chem. Phys. 64(1982)123-138.
- G. D. Billing,
"Semiclassical calculation of energy transfer in polyatomic molecules.
VII. Inter and intramolecular energy transfer in N2 + CO2",
Chem. Phys. 64(1982)35-47.
- G. D. Billing and G. Jolicard,
"Comparison of quantum mechanical and semiclassical (classical path)
probabilities for vibrational transitions in diatom-diatom collisions",
Chem. Phys. 65(1982)323-333.
- G. D. Billing and M. Cacciatore,
"Semiclassical calculation of vibrational relaxation of CO colliding with
4He and 3He", Chem. Phys. Lett. 86(1982)20-25.
- G. D. Billing and L. L. Poulsen,
"Classical path calculation of differential cross sections for rotational
excitation of CO colliding with D2 at 87.2 meV",
Chem. Phys. 70(1982)119-126.
- G. D. Billing,
Ön a semiclassical approach to energy transfer by atom/molecule surface
collisions", Chem. Phys. 70(1982)223-239.
- G. D. Billing,
"Semiclassical calculation of rate constants for energy transfer between
the asymmetric stretch mode of CO2 and N2",
Chem. Phys. Lett. 89(1982)337-340.
- G. D. Billing and D. C. Clary,
"Comparison of semiclassical and quantum mechanical cross sections and
rate constants for CO2(0110) + M ® CO2(0000) +
M (M=He,Ne)", Chem. Phys. Lett. 90(1982)27-30.
- L. L. Poulsen and G. D. Billing,
"Vibrational deactivation of CO(v=1) by p-H2 and o-H2",
Chem. Phys. 73(1982)313-322.
- C. Nyeland, B. C. Eu and G. D. Billing,
"Mixed stochastic-collision complex/Franck-Condon model: Vibrational
distributions for simple chemical reactions",
J. Phys. Chem. 87(1983)488-493.
- G. D. Billing and M. Cacciatore,
Ön the importance of multiquantum VV transitions in CO",
Chem. Phys. Lett. 94(1983)218-221.
- G. D. Billing,
"Semiclassical theory for atom-surface scattering: Calculations on
Ar + W(110)",
Chem. Phys. 74(1983)143-152.
- G. D. Billing,
"Semiclassical calculations of energy transfer in polyatomic molecules.
VIII. Theory for atom + nonlinear triatom",
Chem. Phys. 76(1983)315-329.
- G. D. Billing and D. C. Clary,
"Semiclassical calculations of energy transfer in polyatomic molecules.
IX. Cross sections for M + CO2(000) ® M + CO2(nm1)
(M=He and Ar)", Chem. Phys. 80(1983)213-219.
- G. D. Billing,
"Semiclassical theory for diatom-diatom collisions",
Chem. Phys. Lett. 97(1983)188-192.
- G. D. Billing,
"Semiclassical calculation of energy transfer in polyatomic molecules.
X. Energy transfer in Ar + SF6 collisions at 1 eV",
Chem. Phys. 79(1983)179-188.
- G. D. Billing,
"Rateconstants and cross sections for vibrational transitions in atom-
diatom and diatom-diatom collisions",
Comp. Phys. Comm. 32(1984)45-62.
- G. D. Billing and L. L. Poulsen,
"Differential cross sections for rotational excitation in CO + D2
collisions at 87.2 meV", Chem. Phys. Lett. 99(1983)368-371.
- M. Cacciatore, M. Capitelli and G. D. Billing,
"Vibrational energy relaxation in excited CO molecules in 4He -
CO collisions: A semiclassical study", Chem. Phys. 82(1983)1-10.
- R. J. Price, D. C. Clary and G. D. Billing,
"Validity of the rotational sudden approximation for vibrational relaxation
in He + CO",
Chem. Phys. Lett. 101(1983)269-273.
- C. Nyeland, L. L. Poulsen and G. D. Billing,
"Rotational Relaxation and Transport Coefficients for Diatomic Gases:
Computations on Nitrogen", J. Phys. Chem. 88(1984)1216-1221.
- G. D. Billing,
Ön the use of Ehrenfest's theorem in molecular scattering",
Chem. Phys. Lett. 100(1983)535-539.
- G. D. Billing and G. Jolicard,
"The linearly forced Morse oscillator", Chem. Phys. Lett. 102(1983)
491-500.
- G. Jolicard and G. D. Billing,
"Semiclassical treatment of ro-vibrational relaxation in the large
j-limit: Application to 4He + CO collisions",
Chem. Phys. 85(1984)253-266.
- G. D. Billing,
"The semiclassical treatment of molecular ro/vibrational energy transfers",
Comp. Phys. Rep. 1(1984)237-296.
- G. D. Billing and G. Jolicard,
"Quantum-classical model for photo dissociation",
J. Phys. Chem. 88(1984)1820-1825.
- G. D. Billing,
Ïnelastic scattering and chemisorption of CO on a Pt(111) surface",
Chem. Phys. 86(1984)349-359.
- L. L. Poulsen and G. D. Billing,
"Vibrational deactivation of CO(v=1) by H2. The importance of higher
order multipole moments",
Chem. Phys. 89(1984)219-222.
- G. D. Billing,
"Quantum classical reaction path model for chemical reactions.
I. Theory and collinear atom-diatom case",
Chem. Phys. 89(1984)199-218.
- G. D. Billing and L. L. Poulsen,
"Semiclassical treatment of rotational excitation of NH3 colliding
with 4He", J. Chem. Phys. 81(1984)3866-3873.
- M. Cacciatore, M. Capitelli and G. D. Billing,
"Theoretical Semiclassical Investigation of the Vibrational Relaxation
of CO colliding with 14N2",
Chem. Phys. 89(1984)17-31.
- C. Nyeland, L. L. Poulsen and G. D. Billing,
"Bimolecular Rate, Rotational Relaxation and Transport coefficients
for gaseous Hydrogen Fluoride",
J. Phys. Chem. 88(1984)5858-5863.
- G. D. Billing,
"Rotational and Vibrational Energy Transfer in Diatomic and Polyatomic
Molecules", in Molecular Astrophysics ed. by G. H. F. Diercksen, W. F.
Huebner and P. W. Langhoff, D. Reidel Publ. Co., Dordrecht 1985,
pp 517-532.
- G. D. Billing,
"Semiclassical calculation of energy transfer in polyatomic molecules.
XI. Cross sections and rateconstants for Ar + CO2",
Chem. Phys. 91(1984)327-339.
- G. D. Billing and M. Cacciatore,
"Semiclassical calculations of the reaction probability for the process
C + O ® CO on a Pt(111) surface",
Chem. Phys. Lett. 113(1985)23-38.
- G. D. Billing,
"V-V(vibration-vibration) and V-T(vibration-translation) energy transfer
including multiquatnum transitions", in Vibrational excitation,
dissociation and ionization of diatomic molecules under non-equilibrium
conditions ed. by M. Capitelli, Springer-Verlag 1986, pp 85-112.
- G. D. Billing, L. L. Poulsen and G. H. F. Diercksen,
"Rate constants for rotational excitation of ortho and para NH3 colliding
with 4He on an ab initio potential energy surface",
Chem. Phys. 98(1985)397-408.
- G. D. Billing,
Ënergy transfer in Ne and Xe-CO2 collisions at 1 eV",
Chem. Phys. Lett. 117(1985)145-150.
- G. Jolicard and G. D. Billing,
Ïnfrared multiphoton dissociation of a Morse oscillator.
A new representation of the continuum",
Chem. Phys. Lett. 119(1985)162-168.
- G. D. Billing,
"Semiclassical calculation of cross sections for vibration-rotation
energy transfer in HF-HF collisions",
J. Chem. Phys. 84(1986)2593-2603.
- G. D. Billing,
Ä semiclassical approach to molecular energy transfer", in Proceedings
of Niels Bohr Centennial Conference on 'Semiclassical Discription of
Atomic and Nuclear Collisions', ed. by J. de Boer and J. Bang, D. Reidel
Publ. Co., Copenhagen 1985, pp 339-345.
- M. Cacciatore and G. D. Billing,
Ïsotope separation by VV pumping in CO", Chem. Phys. Lett. 121(1985)
94-98.
- G. D. Billing and G. H. F. Diercksen,
"Cross sections for rotational excitation of ammonia colliding with
helium and hydrogen", Chem. Phys. Lett. 121(1985)99-105.
- G. D. Billing and M. Cacciatore,
"Semiclassical calculation of the probability for formation of CO2 on
a Pt(111) surface",
Chem. Phys. 103(1986)137-150.
- G. Jolicard and G. D. Billing,
"Time dependent perturbation theory: A recursive generation of the
transition amplitudes between bound states",
Chem. Phys. 104(1986)357-370.
- G. D. Billing,
"Semiclassical calculation of energy transfer in polyatomic molecules.
XII. Organic molecules",
Chem. Phys. 104(1986)19-81.
- G. D. Billing and G. H. F. Diercksen,
"Rate Constants for Rotational Excitation of Ammonia colliding with Hydrogen",
Chem. Phys. 105(1986)145-158.
- G. D. Billing,
"Comparison of Quantum Mechanical and Semiclassical Cross sections and
Rate-constants for Vibrational Relaxation of N2 and CO colliding with
4He",
Chem. Phys. 107(1986)39-46.
- G. D. Billing,
"Laser absorption spectra: Influence of Collisions",
Chem. Phys. Lett. 127(1986)269-277.
- G. D. Billing,
Ä Theoretical Approach to Chemical Reactions at Solid Surfaces", in
Understanding Molecular Properties, eds. Aa. E. Hansen, J. Avery and
J. P. Dahl, D. Reidel Publ. Co. Amsterdam 1986, pp 237-249.
- G. D. Billing,
"Cross sections for rotational/vibrational transitions in HF-HF collisions:
Effect of initial state",
Chem. Phys. 112(1987)95-104.
- G. D. Billing,
"Semiclassical collision theory: Selfconsistent classical path method",
J. Chem. Phys. 86(1987)2617-2625.
- C. Gorse, G. D. Billing, M. Cacciatore, M. Capitelli and S. DeBenedictis,
"Non Equilibrium Vibrational Kinetics of CO pumped by Vibrationally Excited
Nitrogen Molecules: General Theoretical Considerations",
Chem. Phys. 111(1987)351-360.
- G. D. Billing,
"Rate-constants for vibrational transitions in diatom-diatom collisions",
Comp. Phys. Comm. 44(1987)121-136.
- M. Broquier, A: Picard-Bersellini, H. Aroui, J. Hall and G. D. Billing,
"Rotational excitation of NH3 colliding with He: Experiments and
Theoretical Calculations": Proceedings of the 15th International Symposium
on Rarefied Gas Dynamics 1986, pp 353-366.
- B. C. Eu, R. Khayat, G. D. Billing and C. Nyeland,
"Nonlinear Transport Coefficients and Plane Couette Flow of a Viscous,
Heat-conducting Gas between two Plates at different Temperatures",
Can. J. Phys. 65(1987)1090-1103.
- G. D. Billing,
"Laser fragmentation of solids",
Chem. Phys. 115(1987)229-238.
- G. D. Billing,
"Nobelprisen i kemi 1986",
Dansk Kemi 12(1986)372-375.
- G. D. Billing,
Ëlectron-hole pair versus phonon excitation in molecule-surface
collisions",
Chem. Phys. 116(1987)269-282.
- C. Nyeland and G. D. Billing,
"Transport Coefficients of Diatomic Gases:
Internal State Analyses for Rotational and Vibrational Degrees of Freedom",
J. Phys. Chem. 92(1988)1752-1755.
- J. T. Muckerman, R. D. Gilbert and G. D. Billing,
Ä Classical Path Approach to Reactive Scattering:
I. Use of Hyperspherical Coordinates",
J. Chem. Phys. 88(1988)4779-4787.
- G. D. Billing,
"Laser assisted molecule surface collisions",
Surf. Sci. 195(1988)187-194.
- M. Broquier, A. Picard-Bersellini, H. Aroui and G. D. Billing,
"Pressure broadening and Cross relaxation of ammonia perturbed by
hydrogen and helium: Implications on intermolecular potentials and
discussion of rotational effects",
J. Chem. Phys. 88(1988)1551-1556.
- G. D. Billing and G. H. F. Diercksen,
"Cross sections and Rate constants for Rotational Excitation of NH3
colliding with H2(j=0) and H2(j=1)",
Chem. Phys. 118(1987)161-166.
- G. D. Billing and N. E. Henriksen,
"Semiclassical model for laser fragmentation of polyatomic molecules",
Chem. Phys. 119(1988)205-219.
- G. D. Billing and G. H. F. Diercksen,
"Rateconstants for rotational excitation of ammonia colliding with
rotationally excited hydrogen",
Chem. Phys. 148(1988)77-80.
- G. D. Billing,
Ïnfluence of phonon inelasticity upon atom-solid scattering intensities",
Surf. Sci. 203(1988)257-275.
- H. Aroui, A. Picard-Bersellini, M. Broquier, S. Blanchard and
G. D. Billing, "Fourier Transform Linewidths Measurements in NH3
in the ground state",
J. Chem. Phys. 89(1988)5373-5376.
- N. E. Henriksen, G. D. Billing and F. Y. Hansen,
"Phase Space Representation of Quantum Mechanics: Approximate Dynamics
of the Morse Oscillator",
Chem. Phys. Lett. 119(1988)397-403.
- G. D. Billing,
"Semiclassical model for energy transfer in polyatomic molecules.
XIII. Biomolecules",
Chem. Phys. 127(1988)107-120.
- G. Jolicard and G. D. Billing,
Ïntermediate representation formulation: An exact treatment for multiphoton
absorption and dissociation in multi laser fields.",
J. Chem. Phys. 90(1989)346-353.
- G. D. Billing,
"Classical Path Approach to Inelastic and Reactive Scattering", in:
Supercomputer Algorithms for Reactivity, Dynamics and Kinetics of small
Molecules, Editor A. Lagana, Reidel Publ. Co. North-Holland 1989.
- G. D. Billing and J. T. Muckerman
Ä Classical Path Approach to Reactive Scattering:
II. Apparatus for 3D Applications"
J. Chem. Phys. 91(1989)6830-6838.
- M. Cacciatore, M. Capitelli and G. D. Billing
"Relaxation dynamics of Vibrationally highly excited H2 molecules
on a Cu-surface",
Surf. Sci. 217(1989)L391-L396.
- F. Y. Hansen, N. E. Henriksen and G. D. Billing,
"The time propagation of the stationary states of a Morse Oscillator
by the Gaussian wave packet method",
J. Chem. Phys. 90(1989)3060-3070.
- J. T. Muckerman, S. Kanfer, R. D. Gilbert and G. D. Billing,
"Classical Path and Quantum Trajectory Approach to Inelastic
Scattering",
(unpublished results).
- G. D. Billing and G. Jolicard,
Ön the application of the adiabatic invariance method for the identification
of 'quantum chaos'",
Chem. Phys. Lett. 155(1989)521-526.
- M. Cacciatore, M. Capitelli and G. D. Billing,
"Vibration to Translation energy exchange in H2 colliding with highly
vibrationally excited H2 molecules",
Chem. Phys. Lett. 157(1989)305-308.
- G. D. Billing and D. C. Clary,
Ön the influence of collisions on laser excitation of SF6",
Chem. Phys. 135(1989)91-97.
- G. D. Billing and J. T. Muckerman,
Ä Classical Path Approach to Reactive Scattering",
Int. J. Quant. Chem. 36(1989)179-186.
- G. D. Billing and M. Cacciatore
Ön the dynamical interaction of H2(vj) with Cu(111): The role of phonon and
electron-hole pair excitation mechanisms",
Proceedings of the XII Int. Symp. on Molecular Beams, Ed. V. Aquilanti, Perugia 1989, p. 248-250.
- C. Nyeland and G. D. Billing,
"Semiclassical coupled states sudden approximation for multipole
cross sections in atom-diatom systems",
Chem. Phys. 138(1989)245-253.
- G. D. Billing,
"Quantum-Classical Reaction Path Model for Chemical Reactions.
II. 3 D-applications", Chem. Phys. 135(1989)423-436.
- G. D. Billing,
"The Dynamics of Molecule-Surface Interaction",
Comp. Phys. Rep. 12(1990)383-451.
- M. Cacciatore and G. D. Billing,
"Dynamical Relaxation of H2(vj) on a Copper Surface"
Surf. Sci. 232(1990)35-50.
- G. D. Billing,
Ënergy transfer in atom/molecule collisions with molecules and surfaces",
in Non-Equilibrium Processes in Partially Ionized Gases, Eds. M. Capitelli
and J. M. Bardsley, Plenum Publ. Corp., New York 1990.
- G. Jolicard and G. D. Billing,
Ä new partitioning technique for the calculation of Bloch's wave
operators",
J. Phys. B. 23(1990)3457-3468.
- G. D. Billing,
Ënergy Transfer in Polyatomic Molecules: Anharmonic Couplings in H+-CF4
Collisions",
J. Chem. Soc. Faraday Trans. 86(1990)1663-1668.
- N. E. Henriksen, G. D. Billing and F. Y. Hansen,
"Dissociative chemisorption of N2 on Rhenium: Dynamics at high impact energies",
Surf. Sci. 227(1990)224-236.
- G. D. Billing,
"Basis set independent methods in timedependent dynamics",
Comp. Phys. Comm. 63(1991)38-50.
- G. D. Billing,
"Quantum-classical Reaction Path/Surface Model for Chemical Reactions:
III. The reaction H2+OH® H2O+H",
Chem. Phys. 146(1990)63-77.
- G. D. Billing, A. Guldberg, N. E. Henriksen and F. Y. Hansen:
"Dissociative chemisorption of N2 on Rhenium: A semi-classical dynamical
treatment",
Chem. Phys. 147(1990)1-11.
- M. Cacciatore, M. Capitelli and G. D. Billing,
"Vibrational relaxation of highly excited H2 molecules in gas-phase and
gas-surface interactions",
Proceedings of the V'th Int. Symp. on the Production and Neutralization of
Negative Ions and Beams, Ed. A. Hershcovitz, AIP Conference Proc. 1990.
- F. Y. Hansen, N. E. Henriksen, G. D. Billing and A. Guldberg,
"Catalytic synthesis of ammonia using vibrationally excited nitrogen
molecules: Theoretical calculation of equlibrium and rate constants",
Surf. Sci. 264(1992)225-234.
- G. Jolicard and G. D. Billing,
Ënergy dependence study of vibrational inelastic collisions using the
wave operator theory and an analyses of quantum flows in momentum space",
Chem. Phys. 149(1991)261-273.
- N. Markovic, G. D. Billing and J. T. Muckerman,
Ön the use of grid methods for the solution of reactive scattering
problems in hyperspherical coordinates",
Chem. Phys. Lett. 172(1990)509-514.
- M. Cacciatore and G. D. Billing,
"State to state vibration-translation and vibration-vibration rate
constants in H2-H2 and HD-HD collisions",
J. Phys. Chem. 96(1992)217-223.
- G. D. Billing,
"Semiclassical treatment of reactive scattering processes",
Trends in Chemical Physics, 1(1991)133-141.
- G. D. Billing,
"Quantum-classical reaction path model for chemical reactions,
IV. The reaction Cl-+CH3® ClCH3+Cl-",
Chem. Phys. 159(1992)109-126.
- H. Aroui, M. Broquier, M. Chevalier, A. Picard and G. D. Billing,
"Temperature effects on collision cross sections between some
rovibrational states of ammonia gas perturbed by hydrogen and helium",
Mol. Phys. 74(1991)897-904.
- G. D. Billing,
"Classical and Semi-classical Treatment of Energy Transfer in Small
Molecules",
Status and Future Developments in the Study of Transport Properties,
ed. W. A. Wakeham, Kluwer Academic Publishers, p.205-216.
- N. Markovic and G. D. Billing,
"The semiclassical solution of reactive scattering problems by wave packet
propagation in hyperspherical coordinates",
Chem. Phys. Lett. 195(1992)53-61.
- N. E. Henriksen, G. D. Billing and F. Y. Hansen,
"Catalytic Synthesis of Ammonia Using Vibrationally Excited Nitrogen:
Effect of vibrational relaxation",
J. Phys. Chem. 96(1992)223-226.
- M. Rakovshik and G. D. Billing
Ön the coupling of phonon and electron-hole pair excitation in
molecule surface scattering",
Chem. Phys. Lett. 185(1991)1-6.
- Annette Guldberg and G. D. Billing,
"Laser Induced Dissociation of Hydrogen Fluoride",
Chem. Phys. Lett. 186(1991)229-237.
- G. D. Billing, N. E. Henriksen and C. Leforestier,
"Semiclassical treatment of laser excitation of the hydrogen atom.
Phys. Rev. A. 45(1992)R4229-R4232.
- Lichang Wang and G. D. Billing,
"Rotational relaxation and transport coefficients for gaseous hydrogen
chloride",
J. Chem. Soc. Faraday Trans., 88(1992)163-166.
- G. D. Billing and Lichang Wang,
"Transport coefficients and rotational relaxation of nitrogen at high
temperatures",
J. Phys. Chem. 96(1992)2572-2575.
- G. D. Billing,
"Quantum-classical reaction path model for chemical reactions.
V. Relation to transition state theory",
Chem. Phys. 161(1992)245-255.
- G. D. Billing and Lichang Wang,
Ön the use of stratified importance sampling for calculating
transport properties",
Chem. Phys. Lett. 168(1992)315-319.
- Annette Guldberg and G. D. Billing,
"Laser Induced Dissociation of an Anharmonic Oscillator Coupled to
a Set of Harmonic Oscillators",
Chem. Phys. Lett. 191(1992)455-462.
- N. E. Henriksen, F. Yssing Hansen and G. D. Billing,
"The accuracy of the time-dependent self-consistent field
approximation for inelastic collisions", Chem. Phys. Lett. 199(1992)
176-186.
- G. D. Billing, V. Zenevich and W. Lindinger,
"Semiclassical analysis of vibrational energy transfer in HF-HF
and isotopic systems. I. V-R/T and V-V processes for the lowest
transitions in HF-HF", J. Chem. Phys. 97(1992)3274-3281.
- G. Jolicard and G. D. Billing,
"Partial widths and time-dependent dissociation dynamics by the optical
potential method",
J. Chem. Phys. 97(1992)997-1003.
- N. Markovic and G. D. Billing,
"Semiclassical wavepacket approach to reactive scattering in
hyperspherical coordinates",
J. Chem. Phys. 97(1992)8201-8209.
- M. Cacciatore, P. De Felice, A. Raino and G. D. Billing,
Ä 3D Semiclassical approach to the Dynamcis of State-selected
D2(v,j) colliding with non-rigid Cu Surface",
Proceedings of the Symposium on Atomic and Surface Physics.
Eds. D. Bassi, M. Scotoni and P. Tosi, Trento Italy 1992, p.3.124-
3.126.
- M. Cacciatore, R. Capurosso and G. D. Billing,
Ïsotope and Centrifugal coupling effects on VV and VT rate constants
for energy transfer in hydrogen",
Chem. Phys. Lett. 197(1992)92-98.
- V. Zenevich, W. Lindinger and G. D. Billing,
"Vibrational relaxation of N2+(X2Sg+,v=1) in collisions
with 4He. II. Classical Path Calculations",
J. Chem. Phys. 97(1992)7257-7262.
- Ge Qingfeng, Wang Lichang and G. D. Billing,
Ïnelastic Scattering and chemisorption of CO on a Cu(111) surface",
Surf. Sci. 277(1992)237-245.
- V. Zenevich, W. Lindinger and G. D. Billing,
"Semi-classical and classical mechanical calculations for vibrational
relaxation of O2+ colliding with Kr",
Chem. Phys. Lett. 197(1992)99-104.
- G. D. Billing and R. E. Kolesnick,
"Vibrational relaxation of oxygen: State to state rate constants",
Chem. Phys. Lett. 200(1992)382-386.
- Lichang Wang and G. D. Billing, "Rotational Relaxation
and Transport Properties of Oxygen by using Importance Sampling Method",
J. Phys. Chem. 97(1993)2523-2526.
- R. E. Kolesnick and G. D. Billing, "Rate Constants for
Vibrational Transitions in Hydrogen and Isotopes",
Chem. Phys. 170(1993)201-207.
- F. A. Gianturco, S. Serna, A. Palma, G. D. Billing and
V. Zenevich, Ëffect of Rotovibrational Coupling on the dynamics of ionic systems: The Kr-O2+ case", J. Phys. B. 26(1993)1839-1849.
- G. D. Billing, "Quantum Corrections to the Classical Path
Theory", J. Chem. Phys. 99(1993)5849-5857.
- G. D. Billing and N. Markovi\'c, Äpparatus for
coupled 3D wavepacket solution of reactive scattering problems in
hyperspherical coordinates", J. Chem. Phys. 99(1993)2674-2681.
- G. D. Billing, "Quantum-classical Methods"
in "Grid Methods in Atomic and Molecular Quantum Calculations", ed.
C. Cerjan, Kluwer Academic Publishers 1993, p. 121-139.
- G. D. Billing, "Quantum mechanical reactive scattering:
A challenge to modern computing" in UNI-C Supercomputing Annual Report, 1992,
p. 59-62.
- N. Markovi\'c and G. D. Billing, "Reactive scattering
by wave packet propagation-A semiclassical calculation of cross
sections", Chem. Phys. 173(1993)385-392.
- A. Gross and G. D. Billing, "Rate constants for ozon
formation and for isotopic exchange reactions", Chem. Phys. 173(1993)393-406.
- M. Broquier, G. Lefevre, M. Pittman, A. Picard-Bersellini,
M. Chevalier and G. D. Billing, "Transfer of rotational population in
NH3 by infrared-infrared double resonance", Mol. Phys. 79(1993)1103-1112.
- G. D. Billing and M. Cacciatore, Ä Semiclassical
Multi-Dimensional Study on the Inelastic and Reactive Interaction
of D2(v,j) with a non-rigid Cu(111) surface", Faraday Disc. 96(1993).
- G. D. Billing, "Semiclassical model for energy transfer in
polyatomic molecules. XIV. He- and Ar-glyoxal collisions",
Chem. Phys. 173(1993)167-175.
- G. D. Billing and R. E. Kolesnick , "Semi-classical calculations
of rate constants for vibrational transitions in hydrogen", Chem. Phys. Lett.
215(1993)571-575.
- A. Gross and G. D. Billing, "Computer Simulation of
Ozone Formation", in Supercomputing Annual Report 1993, p. 36-37.
- G. D. Billing, "VV and VT rates in N2-O2 collisions",
Chem. Phys. 179(1994)463-467.
- Lichang Wang, Qingfeng Ge and Gert D. Billing,
"Molecular dynamics study of H2 diffusion on a
Cu(111) surface", Surf. Sci. 301(1994)353-363.
- M. Capitelli, M. Cacciatore, R. Celiberto, C. Gorse,
G. D. Billing and A. Lagana, "Dynamics of elementary processes
and modeling of negative D- sources", in "Production and Neutralization
of Negative Ions and Beams", AIP Conference Proceedings no. 287, AIP Press
1994, p. 130-140.
- L. Goubert, G. D. Billing, E. Desoppere and
W. Wieme, "Semiclassical calculation of the probabilities for collision
induced vibrational transitions in Ar2*", Chem. Phys. Lett. 219(1994)
360-365.
- K. Museth, G. D. Billing and J. Linderberg,
"The full Quantum Mechanical Three Body Problem of H2+", UNI-C,
Supercomputing Report 1993, p. 38-41.
- G. D. Billing and K. V. Mikkelsen, "Dynamical model
for SN2 reactions in solution: The Cl-+CH3Cl
® CH3Cl+Cl- reaction",
Chem. Phys. 182(1994)249-262.
- N. Markovic and G. D. Billing, "The coupled three-dimensional
wave packet approach to reactive scattering",
J. Chem. Phys. 100(1994)1085-1093.
- Lichang Wang, Qingfeng Ge and G. D. Billing, "Study of
the surface
diffusion of CO on Pt(111) by MD simulation", Surf. Sci. 304(1994)L413-L419.
- G. D. Billing, "The Classical Path Method in Inelastic
and Reactive Scattering", Int. Reviews in Physical Chemistry 13(1994)309-335.
- N. Balakrishnan and G. D. Billing, "Three-dimensional
wavepacket studies of ozone photodissociation
in the Hartley band: Converged autocorrelation functions and
absorption spectra", J. Chem. Phys. 101(1994)2968-2977.
- G. Jolicard and G. D. Billing, "The extension of
Wave Operator-Floquet formalism to molecular photodissociation
processes with short laser pulses", J. Chem. Phys. 101(1994)9429-9435.
- N. Balakrishnan and G. D. Billing, Ïntegral cross sections
and rate constants for the reaction OH+H2® H2O+H: A
semiclassical wavepacket approach", J. Chem. Phys. 101(1994)2785-2792.
- G. D. Billing and G. Jolicard, "The improvement of the
TDSCF method for a reaction coordinate coupled to a heat bath",
Chem. Phys. Lett. 221(1994)75-80.
- M. B. Sevryuk and G. D. Billing, "Vibrational transition
probabilities for the CO molecule trapped in an argon cluster-a
semiclassical simulation",
Chem. Phys. 185(1994)199-210.
- G. D. Billing, "Quantum Mechanical Treatment of
Reactive Scattering Problems", in "Parallel Scientific
Computing", Workshop on Parallel Scientific
Computing at UNI*C, PARA94, Springer-Verlag, Berlin 1994, p. 80-88.
- A. Gross and G. D. Billing, "Rate constants for ozone
formation", Chem. Phys. 187(1994)329-335.
- N. Balakrishnan and G. D. Billing, "Three-Dimensional
Wavepacket Study of the Reaction OH+H2® H2O+H": A
Mixed Quantal/classical Approach", Chem. Phys. 189(1994)499-509.
- G. D. Billing, "Quantum corrections to the classical path
equations: The higher order correction terms" Chem. Phys. 189(1994)523-532.
- F. Y. Hansen, N. E. Henriksen and G. D. Billing, "
New insight in the microscopic mechanism of the catalytic synthesis
of ammonia"
Surf. Sci. 324(1995)55-68.
- V. A. Zenevich, S. K. Pogrebnya, W. Lindinger, M. Cacciatore
and G. D. Billing, "Vibrational relaxation in the NO+-He collision system:
The role of the interaction potential anisotropy,
J. Chem. Phys. 102, 6669-6674(1995).
- N. Markovic and G. D. Billing, "Wavepacket calculations
on ion-molecule reactions", Chem. Phys. 191(1995)247-260.
- N. Balakrishnan and G. D. Billing,
"Computer Simulation of the Reaction
OH+H2® H2O+O using Semiclassical Wave Packet
Methods", in Annual Supercomputing Report 1994, s. 45-47.
- N. Balakrishnan and G. D. Billing, Ä mixed
quantal/classical study of the reaction OH+H2® H2O+H",
Chem. Phys. Lett. 233(1995)145-153.
- V. M. Azriel, G. D. Billing, L. Yu. Rusin and
M. B. Sevryuk, Ä test of the semiclassical Wigner method
for the reaction F+H2®H+HF", Chem. Phys. 195(1995)243-258.
- M. B. Sevryuk and G. D. Billing,
"Computer Simulation of Energy Transfer
Processes in CO-doped Argon Clusters", Annual Supercomputing Report,
1994, s. 42-44.
- G. D. Billing, "Semi-classical formulation of
molecule surface scattering using an EDIM-potential", J. Phys. Chem.
99(1995)15378-15386.
- L. Goubert, E. Desoppere, W. Wieme, R. Polak, I. Paidarova
and G. D. Billing, "Semi-classical Study of Ar2*(3Su+)
-Excimers in a Pure Ar-Afterglow by Means of a Diatomics-in-Molecules Potential Energy Surface for the Ar3*-System",
J. Phys. Chem. 99(1995)15479-15487.
-
G.D. Billing, L.Yu. Rusin and M.B. Sevryuk, "A wavepacket propagation study
of inelastic and reactive F*D_2 scattering", J. Chem. Phys. 103 (1995)
2482-2494
-
N. Balakrishnan and G.D. Billing "Variational Transition State Rate constants
for the reaction O(^3P)+O_3(^1A_1) --> 2 O_"(X^3\Sigma_g^-)", Chem. Phys.
Lett. 244 (1995) 68-74
-
N.E. Henriksen, F.Y. Hansen and G.D. Billing, "The Surface Temperature Effect
on the Dissociative Sticking of N_2 on Fe(111)", Chem. Phys. Lett. 244 (1995)
350-354
- G. D. Billing and K. V. Mikkelsen, Ïntroduction
to Molecular Dynamics and Chemical Kinetics", John Wiley & Sons,
1996.
- G. D. Billing, N. Markovic and N. Balakrishnan,
Äpplication of Semi-Classical Dynamics for Chemical Reactions",
in "Dynamics of Molecules and Chemical Reactions", Ed. by
R. E. Wyatt and J. Zhang, Marcel Dekker Inc. 1996, pp 531-559.
- G. D. Billing, "Quantum and Semi-classical Methods
in Reactive Scattering" in New Methods in Quantum Theory,
eds. C.A.Tsipis et al. 1996 Kluwer Academic Publishers, Holland,
pp. 251-264.
- A. Gross and G. D. Billing, "Semiclassical
treatment of molecular vibrational energy transfer in collision
between vibrationally excited O3 and Ar", Chem. Phys. 202(1996)321-348.
- G. D. Billing, "Semi-classical treatment of the
dynamics of molecule-surface interaction", in Molecular Physics and
Hypersonic Flows, ed. M. Capitelli 1996 Kluwer Academic Publ., Holland,
pp. 231-257.
- F. Aguillon, M. Sizun, V. Sidis, G. D. Billing and
N. Markovic, "Semiclassical coupled wavepackets study of the
non adiabatic collisions Ar+(J)+H2: zero angular momentum
case", J. Chem. Phys. 104(1996)4530-4543.
- N. Markovic and G. D. Billing, "Wave packet calculations
on ion-molecule reactions: The co-planar approximation", Chem. Phys.
Lett. 248(1996)420-426.
- N. Balakrishnan and G. D. Billing, Ä quantum-classical
study of the Reaction OH(v1,j1)+CO(v2,j2)® CO2+H",
J. Chem. Phys. 104(1996)4005-4011.
- M. Cacciatore and G. D. Billing, "Dissociation
and atom recombination of H2 and D2 on Metallic surfaces:
A Theoretical Study", Pure and Applied Chemistry, 68(1996)1075-1081.
- N. Balakrishnan and G. D. Billing, "Semiclassical
wave packet study of V-V energy transfer in highly excited
CO molecules", Chem. Phys. 204(1996)77-87.
- G. D. Billing, "The Reaction-Volume hamiltonian
for polyatomic three center reactions: The classical hamiltonian",
Mol. Phys. 89(1996)355-372.
- G. D. Billing and N. Markovic, "Semi-classical
treatment of chemical reactions", Chem. Phys. 209(1996)377-388.
- N. Balakrishnan and G. D. Billing, "Quantum-Classical
Reaction Path Study of the Reaction O(3P)+O3(1A1)®
2O2(X3Sg-)", J. Chem. Phys. 104(1996)9481-9494.
- M. Sizun, F. Aguillon, V. Sidis, V. Zenevich, G. D. Billing
and N. Markovic, "Theoretical investigation of the Ar+(J)+H2® ArH++H reaction: semiclassical coupled
wavepacket treatment", Chem. Phys. 209(1996)327-353.
- K. Museth and G. D. Billing, "Generalization of the
MCTDH method to non-adiabatic systems", J. Chem. Phys. 105(1996)9191-9199.
- G. D. Billing, "From first principles to industrial
applications", in Applied Parallel Computing, eds. J.
Wasniewski, J. Dongorra, K. Madsen and D. Olesen, Springer
Verlag, 1996, pp.40-45.
- Gert D. Billing and Kurt V. Mikkelsen, Ädvanced
Molecular Dynamcis and Chemical Kinetics", John Wiley & Sons, 1997.
- G. D. Billing, "Classical Path Equations
in Molecular Collisions", Int. J. Thermophysics, 18, 977-990(1997).
- Birgitte Freiesleben Hansen and Gert D. Billing,
"Hydrogen and deuterium recombination rates on a copper surface",
Surf. Sci. Lett. 373, 333-338(1997).
- Allan Gross and Gert D. Billing,
Ïsotope effect on the rate constants
for the processes O2+O® O+O2 and O2+O+Ar®O3+Ar: A modified ground state potential energy surface for ozone."
, Chem. Phys. 217, 1-18(1997).
- Gert D. Billing, "The Quantum-classical treatment
of N-particle three center reactions", J. Chem. Soc., Faraday Trans.
93, 833-840(1997).
- Lichang Wang and Gert D. Billing, "Molecular
dynamics studies of dissociation of O2 on Ag(111) surface",
Chem. Phys. 224, 65-79(1997).
- A. Vijay and G. D. Billing, "Semiclassical
wave packet calculations on ion-molecule reactions. Studies
on B++H2 reaction", J. Chem. Phys. 107, 2974-2989(1997).
- G. Jolicard, P. A. Tuckey and G. D. Billing, "Determination
of the active space in molecular dynamics by a time-dependent
wave operator method", J. Chem. Phys. 107, 6290-98(1997).
- Geert-Jan Kroes, M.C.van Hemert, G. D. Billing
and D. Neuhauser,
"Photodissociation of CH2 (13B1) through the coupled
2A" and 3A" states: quantitative branching ratios for the production
of CH+H and C+H2", Chem. Phys. Lett. 271(1997)311-319.
- N. Markovic and G. D. Billing, "Semi-classical
treatment of chemical reactions: Extension to 3D wave packets",
Chem. Phys. 224, 53-64(1997).
- G. D. Billing, "Quantum corrections to the
classical path equations: The multitrajectory and Hermite correction",
J. Chem. Phys. 107, 4286-4294(1997).
- S. Adhikari and G. D. Billing, "The Geometric
Phase Effect in Chemical Reactions: A Quasi-classical Trajectory
Study", J. Chem. Phys. 107, 6213-6218(1997).
- Geert-Jan Kroes, M. C. van Hemert,
D. Neuhauser and G. D. Billing,
"Photodissociation of CH2. VI. Three-dimensional quantum dynamics
of the dissociation through the coupled 2A" and 3A" states.",
J. Chem. Phys. 107, 5757-(1997).
- A. Koch and G. D. Billing, "The reaction volume
hamiltonian method: Further development and application",
J. Chem. Phys. 107, 7242-51(1997).
- S. K. Mengel and G. D. Billing, "The influence of
electron-hole pair exciation on dissociative sticking", J. Phys.
Chem. 101, 10781-90(1997).
- Gert D. Billing, "Mixed Classical Quantum Methods",
in Encyclopedia of Computational Chemistry, ed. P. von Rague Schleyer,
Wiley, New York 1998, pp. 1587-1599.
- M. Cacciatore, M. Rutigliano and G. D. Billing,
Ënergy flows, recombination coefficients and dynamics for oxygen
recombination on silica surfaces", AIAA paper no. 98-2843(1998)1-11.
- C. M. Laursen, E. Christoffersen and G. D. Billing,
Ön the complexity of molecule surface reactions", Chem. Phys. Lett.
290, 275-281(1998).
- S. Adhikari and G. D. Billing, A Classical Mechanical
study of Geometric Phase Effects in Chemical Reactions", Chem. Phys.
Lett. 284, 31-38(1998).
- M. Rutigliano, G. D. Billing and M. Cacciatore,
Ätom Recombination and Vibrational Distribution in O2 Molecules
formed on Silica Surfaces", 21st International Symposium on Rarefied
Gas Dynamics, 89-90(1998).
- G. D. Billing and A. Kuppermann, Ön the Geometric
Phase effect on 4-atomic reactions: The OH+H2®H2O
reaction", Chem. Phys. Lett. 294, 26-30(1998).
- G. D. Billing, "Vibrational relaxation by electron-hole
pair excitation", Chem. Phys. Lett. 290,150-154(1998).
- S. Adhikari and G. D. Billing, "The Geometric
Phase effect on differential cross sections in chemical reactions:
A classical mechanical approach", Chem. Phys. Lett. 289, 219-223(1998).
- S. Adhikari and G. D. Billing, "Semiclassical reactive
scattering: The Hermite correction
in hyperspherical coordinates", Chem. Phys. 238, 69-80(1998).
- N. Balakrishnan, A. Dalgarno and G. D. Billing, "
Multiquantum vibrational transitions in O2(v ³ 25)+O2(v=0)
collisions", Chem. Phys. Lett. 288, 657-662(1998).
- K. Museth and G. D. Billing, "Reply to Comment on:
Generalization of the multiconfigurational time-dependent Hartree
method to non-adiabatic systems", J. Chem. Phys. 109, 351(1998).
- M. Cacciatore, M. Rutigliano and G. D. Billing,
Ëley-Rideal and Langmuir-Hinshelwood Recombination Coefficients for
Oxygen on Silica Surfaces",
J. Thermophys. Heat Transfer 13, 195(1999).
- A. Hansel, N. Oberhofer, W. Lindinger, V. A. Zenevich
and G. D. Billing, " Vibational relaxation of NO+(v) in collisions
with CH4: experimental and theoretical studies", Int. J. Mass Spectry.
and Ion Processes, 185-187, 559-563(1999).
- G. D. Billing, Ätomic and Molecular Processes on
Surfaces", Plasma Physics Reports, 25, 32-37(1999).
- G. D. Billing, "Time-dependent quantum dynamics in a Gauss-
Hermite basis", J. Chem. Phys. 110, 5526-37(1999).
- V. A. Zenevitch and G. D. Billing, "Vibrational-rotational
energy transfer in H2-H2 collisions: I. Semiclassical decoupling
approximation", J. Chem. Phys. 111, 2401-2406(1999).
- G. D. Billing, "Semiclassical treatment of atom-surface
scattering: He-Cu(001) collisions", Appl. Surf. Sci. 142, 7-13(1999).
- S. Adhikari and G. D. Billing, "Hermite Correction
Method in Hyperspherical Coordinates: Application to Chemical
Reactions", Chem. Phys. Lett. 305, 109-116(1999).
- C. Coletti and G. D. Billing, "Reaction volume
approach to N-particle reactions: New optimization scheme for defining the
reaction volume", Phys.Chem.Chem.Phys. 1, 4141-4149(1999).
- S. Adhikari and G. D. Billing, "The Gauss-Hermite
basis set in tunneling problems", Chem. Phys. Lett. 309, 249-256(1999).
- G. D. Billing, "Trajectory driven second quantization
approach to quantum dynamics", Chem. Phys. 242, 341-351(1999).
- C. Coletti and G. D. Billing, Ïsotope effects
on
vibrational energy
transfer in CO", J. Chem. Phys. 111, 3891-99 (1999).
- S. Adhikari and G. D. Billing, "The conical intersection
effects and adiabatic single-surface approximations on scattering
processes: A time-dependent wave packet approach", J. Chem. Phys. 111,
40-47(1999).
- S. Adhikari and G. D. Billing, "The Hermite Correction Method
for non-adiabatic transitions", J. Chem.
Phys. 111, 48-53(1999).
- G. D. Billing,
Second quantization formulation of molecular dynamics",
Phys. Chem. Chem. Phys. 1, 4687-4694(1999).
- A. Vijay, R. E. Wyatt and G. D. Billing, "Time propagation and spectral
filters in quantum mechanics. A Hermite polynomial perspective",
J. Chem. Phys. 111, 10794-10805 (1999).
- S. Adhikari and G. D. Billing, "The effect of
a cluster on a chemical reaction: a quasiclassical trajectory study",
Chem. Phys. 250, 295-301(1999).
- V. Zenevich, G. D. Billing and G. Jolicard, "Vibrational-
rotational energy transfer in H2-H2 collisions: II. The relative
roles of the initial rotational excitation of both diatoms.", Chem. Phys.
Lett. 312, 530-535(1999).
- T. Nymand, K. V. Mikkelsen, P.-O. Å strand and G. D. Billing,
"Dynamical model for SN2 reactions in microsolution: The Cl-+CH3Cl
®ClCH3+Cl- reaction", Acta. Chem. Scand. 53, 1043-1053(1999).
- G. D. Billing, "Dynamics of Molecule Surface Interactions", Wiley, 2000.
- G. D. Billing, "Quantum-classical formulation of
molecular dynamics in a Gauss-Hermite basis: The second quantization
formulation", J. Mol. Structure (Theochem), 501-502, 519-528(2000).
- G. D. Billing, "The role of electron-hole pair
excitation in molecule surface collisions", J. Chem. Phys. 112, 335-343(2000)
- S. Adhikari and G. D. Billing, Ä time-dependent DVR method",
J. Chem. Phys. 113, 1409-1414(2000).
- S. Adhikari and G. D. Billing, "Four dimensional quantum and two dimensional
classical mechanical study of molecule-surface interaction", J. Chem. Phys.
112, 3884-3889(2000).
- G. D. Billing, "The reaction path method for chemical reactions", in
Lecture Notes in Chemistry, Eds. W. Jakubetz and , Springer Verlag, 2000, pp. 127-166.
- M. Baer, S. H. Lin, A. Alijah, S. Adhikari and G. D. Billing, "The
Extended Approximated Born-Oppenheimer Equation I. Theory", Phys. Rev. A 62, 32506-1-32506-8(2000).
- G. D. Billing, "Quantum-classical theories", in Lecture notes in Chemistry, Eds. A. Lagana
and A. Riganelli, Springer Verlag, 117-131, 2000.
- S. Adhikari, G. D. Billing, A. Alijah, S.H.Lin and M. Baer, "The Extended
Approximated Born-Oppenheimer Equation: II. Application", Phys. Rev. A 62, 32507-1-32507-7(2000).
- V. A. Zenevich, G. D. Billing and G. Jolicard, "Vibrational-rotational energy
transfer in H2-H2 collisions: III. Ortho-ortho collisions", Mol. Phys. 98, 1691-1695(2000).
- G. D. Billing and S. Adhikari, "The time-dependent discrete variable representation
in molecular dynamics", Chem. Phys. Lett. 321, 197-204(2000).
- S. Adhikari and G. D. Billing, "The Geometric Phase Effect in Chemical Reactions",
Chem. Phys. 259, 149-172(2000).
- N. Markovic and G. D. Billing, Änalyses of the semi-classical wavepacket approach to chemical
reactions: The F+H2 ® FH+H reaction", Mol. Phys. 98, 1771-1781(2000).
- C. Coletti and G. D. Billing, "Rate constants for vibrational energy transfer in carbon
monoxide", J. Chem. Phys. 113, 4869-4875(2000).
- C. Coletti and G. D. Billing, "Semi-classical calculation of reaction cross sections and rates
for the reaction H2+CN®HCN+H", J. Chem. Phys. 113, 11101-11108(2000)
- N. E. Henriksen, F. Y. Hansen and G. D. Billing, Ä Comment on Apparent Tunneling in Chemical
Reactions", Chem. Phys. Lett. 330, 139-145(2000).
- C. Coletti and G. D. Billing, "Quantum-Classical Methods: A Quantum-Classical Approach
to Diatom-Diatom Reactive Scattering and VV Energy Transfer", Eds. A. Lagana and A. Riganelli, Springer Verlag,
257-270, 2000.
- D. L. Huestis and G. D. Billing, "Theory of O-CO2 Collisions:
Thermospheric Cooling on Venus, Earth and Mars", Eos. Trans. AGU 81,
F931(2000).
- M. Baer and G. D. Billing, Ön the Quantum
Mechanical and the Classical Topological Phases: A Study of a
Degenerate Periodic System", Phys. Chem. A 105, 2509-2514(2001).
- G. D. Billing, "Quantum dressed classical mechanics", J. Chem. Phys. 114, 6641-6653(2001).
- G. D. Billing, "Reactive scattering in a time-dependent variable representation basis",
Int. J. Quant. Chem. 84, 467-478(2001).
- G. D. Billing, Ïnelastic scattering by a time-dependent discrete variable representation
method", Chem. Phys. 264, 71-80, 2001.
- G. D. Billing, Äpplication of quantum dressed classical mechanics: Molecule surface scattering",
J. Phys. Chem. 105, 2340-2347(2001).
- G. D. Billing, Ä split Lanczos method for solving time-dependent discrete variable
Gauss-Hermite dynamics", Chem. Phys. Lett. 339, 237-242(2001)
- M. Rutigliano, M. Cacciatore and G.D.Billing, "Hydrogen atom recombination on graphite at
Ts = 10K via the Eley-Rideal mechanism", Chem. Phys. Lett. 340, 13(2001).
- C. Coletti and G. D. Billing, Quantum dressed classical mechanics: Application to chemical
reactions", Chem. Phys. Lett. 342, 65-74(2001).
- M. S. Johnson, G. D. Billing, A. Gruodis and M. H. M. Janssen, "Photolysis of Nitrous Oxide Isotopomers Studied by
Time-dependent Hermite Propagation", J. Phys. Chem. 105, 8672-8680(2001).
- G. D. Billing, "Quantum dressed classical mechanics: Application to non-adiabatic
processes", Chem. Phys. Lett. 343, 130-138(2001).
-
K. Feilberg, G.D. Billing and M.S. Johnson, "Quantum dressed classical
mechanics: Application to the HO+CO --> H+CO_2 reaction", J. Phys. Chem. A
105 (2001)
11171-11176
- M. Baer, A. M. Mebel and G. D. Billing, "The Necessary Conditions for having a Rigorous
Diabatic Potential Matrix", J. Phys. Chem. A 106, 6499-6507 (2002).
- J. Avery, M. Baer, and G. D. Billing, "Some properties
of electronic non-adiabatic coupling terms", Mol. Phys. 100, 1011-1015(2002).
- G. D. Billing, "The Quantum-Classical Theory", Oxford University Press, 2003.
- M. S. Johnson, G. D. Billing, P. von Hessberg, B. Lassen and S. Nanbu, "Photolysis of OCS isotopomers",
- G. D. Billing, "Quantum dressed classical mechanics: Theory and application",
for Physical Chemistry Chemical Physics (PCCP), 4, 2865-2877(2002).
- M. Baer, A. M. Mebel and G. D. Billing, "The Curl Equations as Substratum for the Derivation
of Electronic Non-Adiabatic Coupling terms", Int. J. Quan. Chem. 90, 1577-1585 (2002).
- S. Adhikari and G. D. Billing, "Non-Adiabatic Effects in Chemical Reactions: Extended
Born-Oppenheimer Equations and its' Applications", in "The Role of Degenerate States in Chemistry", Adv.
Chem. Phys. Eds. G.D.Billing and M.Baer, Wiley, New York, 2002.
- C. Coletti, G. D. Billing, A. K. Kurnosov and A. P. Napartovich,"Sensitivity of molecular vibrational dynamics to energy exchange rate
constant values", submitted.
- G. D. Billing, Äpplication of the reaction path method
to the reaction: H+CH4®H2+CH3", Chem. Phys. 277,
325-340,2002.
- C. Coletti and G. D. Billing, "Vibrational energy transfer in O2-O2 collisions", Chem. Phys. Lett. 356, 14-23(2002).
- G. D. Billing, H. G. Yu and J. T. Muckerman, "Vibrational energy transfer and chemical
reaction in HO+CO collisions", J. Chem. Phys. 117, 4755-4760(2002).
- A. Kurnosov, M. Cacciatore and G. D. Billing, "Vibrational
Relaxation of CO in Collisions with N2", J. Phys. Chem. A submitted.
- G. D. Billing, "Quantum dressed classical mechanics",
in Current Develoments in Atomic, Molecular and Chemical Physics with
Applications", Ed. Man Mohan, Kluwer, Plenum Press
, London
- C. Tully and G. D. Billing, "Dissociation of N2 on Ruthenium
using an Embedded Diatomics in Molecules Potential", Chem. Phys. Lett.
(in press).
- Günter Käb and G. D. Billing, "Semiclassical dynamics
using a time-dependent orthorgonal basis", to be submitted.
- G. D. Billing, "Vibrational Energy Transfer in Hydrogen",
submitted.
- G. D. Billing, "Quantum-classical treatments of molecular
dynamics", (invited paper).
- C. Coletti and G. D. Billing, "Quantum dressed classical
mechanics: Application to photoabsorption of pyrazine", Chem. Phys. Lett. 368, 289-298 (2003)
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