Russell T. Pack, Ph.D. - Publications

Affiliations: 
Theoretical Chemistry Institure University of Wisconsin, Madison, Madison, WI 
Area:
Chemical Dynamics

110 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2007 Salazar MR, Thompson SL, Laintz KE, Meyer TO, Pack RT. Degradation of a poly(ester urethane) elastomer. IV. Sorption and diffusion of water in PBX 9501 and its components Journal of Applied Polymer Science. 105: 1063-1076. DOI: 10.1002/app.26207  1
2004 Pack RT, Walker RB. Some symmetry-induced isotope effects in the kinetics of recombination reactions. The Journal of Chemical Physics. 121: 800-12. PMID 15260608 DOI: 10.1063/1.1758697  0.52
2004 Pack RT, Walker RB. Some symmetry-induced isotope effects in the kinetics of recombination reactions Journal of Chemical Physics. 121: 800-812. DOI: 10.1063/1.1758697  1
2003 Babikov D, Kendrick BK, Walker RB, Pack RT, Fleurat-Lesard P, Schinke R. Formation of ozone: Metastable states and anomalous isotope effect Journal of Chemical Physics. 119: 2577-2589. DOI: 10.1063/1.1587113  1
2003 Colavecchia FD, Mrugala F, Parker GA, Pack RT. Accurate quantum calculations on three-body collisions in recombination and collision-induced dissociation. II. The smooth variable discretization enhanced renormalized Numerov propagator Journal of Chemical Physics. 118: 10387-10398. DOI: 10.1063/1.1573186  1
2003 Babikov D, Kendrick BK, Walker RB, Pack RT, Fleurat-Lesard P, Schinke R. Metastable states of ozone calculated on an accurate potential energy surface Journal of Chemical Physics. 118: 6298-6308. DOI: 10.1063/1.1557936  1
2003 Colavecchia FD, Burke JP, Stevens WJ, Salazar MR, Parker GA, Pack RT. The potential energy surface for spin-aligned Li3(1 4A′) and the potential energy curve for spin-aligned Li2(a 3Σu +) Journal of Chemical Physics. 118: 5484-5495. DOI: 10.1063/1.1555124  1
2003 Babikov D, Kendrick BK, Walker RB, Schinke R, Pack RT. Quantum origin of an anomalous isotope effect in ozone formation Chemical Physics Letters. 372: 686-691. DOI: 10.1016/S0009-2614(03)00479-2  1
2003 Salazar MR, Lightfoot JM, Russell BG, Rodin WA, McCarty M, Wrobleski DA, Orler EB, Spieker DA, Assink RA, Pack RT. Degradation of a poly(ester urethane) elastomer. III. Estane 5703 hydrolysis: Experiments and modeling Journal of Polymer Science, Part a: Polymer Chemistry. 41: 1136-1151. DOI: 10.1002/pola.10656  1
2002 Babikov D, Walker RB, Pack RT. A quantum symmetry preserving semiclassical method Journal of Chemical Physics. 117: 8613-8622. DOI: 10.1063/1.1513457  1
2002 Parker GA, Walker RB, Kendrick BK, Pack RT. Accurate quantum calculations on three-body collisions in recombination and collision-induced dissociation. I. Converged probabilities for the H+Ne2 system Journal of Chemical Physics. 117: 6083-6102. DOI: 10.1063/1.1503313  1
2002 Hernández-Lamoneda R, Salazar MR, Pack RT. Does ozone have a barrier to dissociation and recombination? Chemical Physics Letters. 355: 478-482. DOI: 10.1016/S0009-2614(02)00276-2  1
2002 Salazar MR, Pack RT. Degradation of a poly(ester urethane) elastomer. II. Kinetic modeling of the hydrolysis of a poly(butylene adipate) Journal of Polymer Science, Part B: Polymer Physics. 40: 192-200. DOI: 10.1002/polb.10080  1
2002 Salazar MR, Thompson SL, Laintz KE, Pack RT. Degradation of a poly(ester urethane) elastomer. I. Absorption and diffusion of water in Estane® 5703 and related polymers Journal of Polymer Science, Part B: Polymer Physics. 40: 181-191. DOI: 10.1002/polb.10079  1
2000 Zeman V, Armour EAG, Pack RT. Treatment of the tμ+D2 reaction by the methods of quantum reactive scattering Physical Review a - Atomic, Molecular, and Optical Physics. 61: 527131-5271314.  1
1999 Kendrick BK, Pack RT, Walker RB, Hayes EF. Hyperspherical surface functions for nonzero total angular momentum. I. Eckart singularities Journal of Chemical Physics. 110: 6673-6693.  1
1997 Pack RT, Walker RB, Kendrick BK. Mechanisms of atomic and molecular recombination and collision-induced dissociation Chemical Physics Letters. 276: 255-262.  1
1997 Kendrick B, Pack RT. Geometric phase effects in the resonance spectrum, state-to-state transition probabilities and bound state spectrum of HO2 Journal of Chemical Physics. 106: 3519-3539.  1
1996 Kendrick B, Pack RT. Geometric phase effects in H+O2 scattering. II. Recombination resonances and state-to-state transition probabilities at thermal energies Journal of Chemical Physics. 104: 7502-7514.  1
1996 Kendrick B, Pack RT. Geometric phase effects in H+O2 scattering. I. Surface function solutions in the presence of a conical intersection Journal of Chemical Physics. 104: 7475-7501.  1
1995 Kendrick B, Pack RT. Recombination resonances in thermal H + O2 scattering Chemical Physics Letters. 235: 291-296. DOI: 10.1016/0009-2614(95)00116-L  1
1995 Pack RT, Butcher EA, Parker GA. Accurate three-dimensional quantum probabilities and collision lifetimes of the H+O2 combustion reaction The Journal of Chemical Physics. 102: 5998-6012.  1
1995 Kendrick B, Pack RT. Potential energy surfaces for the low-lying 2A″ and 2A′ States of HO2: Use of the diatomics in molecules model to fit ab initio data The Journal of Chemical Physics. 102: 1994-2012.  1
1995 Parker GA, Laganà A, Crocchianti S, Pack RT. A detailed three-dimensional quantum study of the Li+FH reaction The Journal of Chemical Physics. 102: 1238-1250.  1
1995 Barclay VJ, Dateo CE, Hamilton IP, Kendrick B, Pack RT, Schwenke DW. Anomalous symmetries of the rovibrational states of HO2: Consequences of a conical intersection The Journal of Chemical Physics. 103: 3864-3867.  1
1994 Yang CY, Klippenstein SJ, Kress JD, Pack RT, Parker GA, Laganà A. Comparison of transition state theory with quantum scattering theory for the reaction Li+HF→LiF+H The Journal of Chemical Physics. 100: 4917-4924.  1
1993 Parker GA, Pack RT, Laganà A. Accurate 3D quantum reactive probabilities of Li+FH Chemical Physics Letters. 202: 75-81. DOI: 10.1016/0009-2614(93)85353-P  1
1993 Parker GA, Pack RT. Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. VI. Analytic basis method for surface functions The Journal of Chemical Physics. 98: 6883-6896.  1
1993 Pack RT, Butcher EA, Parker GA. Accurate quantum probabilities and threshold behavior of the H+O 2 combustion reaction The Journal of Chemical Physics. 99: 9310-9313.  1
1993 Laganà A, Pack RT, Parker GA. Li+FH reactive cross sections from J = 0 accurate quantum reactivity Journal of Chemical Physics. 99: 2269-2270.  1
1992 Braunstein M, Pack RT. Simple theory of diffuse structure in continuous uv spectra of polyatomic molecules. II. Photodissociation of bent symmetric triatomics The Journal of Chemical Physics. 96: 891-897.  1
1992 Braunstein M, Pack RT. Simple theory of diffuse structure in continuous ultraviolet spectra of polyatomic molecules. III. Application to the Wulf-Chappuis band system of ozone The Journal of Chemical Physics. 96: 6378-6388.  1
1991 Smith IWM, Valentini JJ, Neumark DM, Ashfold MNR, González M, Temps F, Laganà A, Alvariño JM, Quintales LM, Polanyi JC, Grice R, Truhlar DG, McKendrick KG, Aoiz FJ, Mackay RS, ... ... Pack RT, et al. General discussion Faraday Discussions of the Chemical Society. 91: 337-414. DOI: 10.1039/b407960b  1
1991 Pack RT. Conformally euclidean internal coordinate space in the quantum three-body problem Chemical Physics Letters. 230: 223-227. DOI: 10.1016/0009-2614(94)01130-3  1
1991 Braunstein M, Hay PJ, Martin RL, Pack RT. The lowest excited 1A2 and 1B1 states of ozone: Two conical intersections and their impact on photodissociation Journal of Chemical Physics. 95: 8239-8247.  1
1990 Archer BJ, Parker GA, Pack RT. Positron-hydrogen-atom S-wave coupled-channel scattering at low energies. Physical Review. A. 41: 1303-1310. PMID 9903222  0.72
1990 Archer BJ, Parker GA, Pack RT. Positron hydrogen-atom S-wave coupled-channel scattering at low energies Physical Review A. 41: 1303-1310. DOI: 10.1103/PhysRevA.41.1303  1
1990 Kress JD, Pack RT, Parker GA. Accurate three-dimensional quantum scattering calculations for F+H2→HF+H with total angular momentum J=1 Chemical Physics Letters. 170: 306-310. DOI: 10.1016/0009-2614(90)87133-C  1
1990 Bačić Z, Kress JD, Parker GA, Pack RT. Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. IV. Discrete variable representation (DVR) basis functions and the analysis of accurate results for F + H2 The Journal of Chemical Physics. 92: 2344-2361.  1
1990 El-Sheikh SM, Tabisz GC, Pack RT. Search for a multiproperty empirical intermolecular potential for XeSF 6 The Journal of Chemical Physics. 92: 4234-4238.  1
1990 Kress JD, Bačić Z, Parker GA, Pack RT. Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. 5. Comparison between two accurate potential energy surfaces for H + H2 and D + H2 Journal of Physical Chemistry. 94: 8055-8058.  1
1989 Kress JD, Bačić Z, Parker GA, Pack RT. Quantum effects in the F+H2→HF+H reaction. Accurate 3D calculations with a realistic potential energy surface Chemical Physics Letters. 157: 484-490. DOI: 10.1016/S0009-2614(89)87396-8  1
1989 Kress JD, Woodruff SB, Parker GA, Pack RT. Some strategies for enhancing the performance of the block Lanczos method Computer Physics Communications. 53: 109-115. DOI: 10.1016/0010-4655(89)90151-3  1
1989 Kress JD, Parker GA, Pack RT, Archer BJ, Cook WA. Comparison of Lanczos and subspace iterations for hyperspherical reaction path calculations Computer Physics Communications. 53: 91-108. DOI: 10.1016/0010-4655(89)90150-1  1
1989 Pack RT, Parker GA. Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates III. Small θ behavior and corrigenda The Journal of Chemical Physics. 90: 3511-3519.  1
1988 Struensee MC, Hale GM, Pack RT, Cohen JS. Nuclear effects on the eigenvalues of the dt molecule Physical Review A. 37: 340-348. DOI: 10.1103/PhysRevA.37.340  1
1987 Parker GA, Pack RT, Archer BJ, Walker RB. Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. tests on H+H2 and D+H2 Chemical Physics Letters. 137: 564-568. DOI: 10.1016/0009-2614(87)80630-9  1
1987 Pack RT, Parker GA. Quantum reactive scattering in three dimensions using hyperspherical (APH) coordinates. Theory The Journal of Chemical Physics. 87: 3888-3921.  1
1986 Struensee MC, Cohen JS, Pack RT. Improved adiabatic calculations of the vibrational-rotational states of HD+ Physical Review A. 34: 3605-3618. DOI: 10.1103/PhysRevA.34.3605  1
1986 Pack RT, Rice WW, Barefield JE. Energy flow and branching ratios between the low-lying electronically excited states of PuF6 The Journal of Chemical Physics. 85: 2054-2068.  1
1986 Rice WW, Barefield JE, Pack RT. Observation of rapid E-to-V energy transfer in the 2.3 μm laser-induced fluorescence of PuF6 containing HF The Journal of Chemical Physics. 85: 255-261.  1
1985 Pack RT. Adiabatic theory of symmetry breaking and dipole moments of isotopic molecules. Correct dissociation of their electronic and muonic ions Physical Review A. 32: 2022-2029. DOI: 10.1103/PhysRevA.32.2022  1
1985 Rice WW, Barefield JE, Pack RT, Dye BA. E-T and near-resonant E-V energy transfer in the quenching of the 1.0 and 2.3 μm electronically excited states of PuF6 by H2 and D2 The Journal of Chemical Physics. 82: 58-64.  1
1984 Pack RT. Coordinates for an optimum CS approximation in reactive scattering Chemical Physics Letters. 108: 333-338. DOI: 10.1016/0009-2614(84)85201-X  1
1984 Hay PJ, Pack RT, Martin RL. Electron correlation effects on the N2-N2 interaction The Journal of Chemical Physics. 81: 1360-1372.  1
1984 Pack RT, Piper E, Pfeffer GA, Toennies JP. Multiproperty empirical anisotropic intermolecular potentials. II. HeSF6 and NeSF6 The Journal of Chemical Physics. 80: 4940-4950.  1
1984 Pack RT. Transformation and averaging of theoretical differential cross sections for comparison with crossed molecular beam experiments The Journal of Chemical Physics. 81: 1841-1850.  1
1983 Pack RT. Corrected formula for first quantum corrections to second virial coefficients for non-spherical molecules Chemical Physics Letters. 96: 171-174. DOI: 10.1016/0009-2614(83)80486-2  1
1982 Pack RT, Valentini JJ, Becker CH, Buss RJ, Lee YT. Multiproperty empirical interatomic potentials for ArXe and KrXea The Journal of Chemical Physics. 77: 5475-5485.  1
1982 Pack RT. First quantum corrections to second virial coefficients for anisotropic interactions: Simple, corrected formula The Journal of Chemical Physics. 78: 7217-7222.  1
1982 Pack RT. van der Waals coefficients for interactions involving sulfur hexafluoride Journal of Physical Chemistry. 86: 2794-2796.  1
1982 Hay PJ, Pack RT, Walker RB, Heller EJ. Photodissociation of ozone in the hartley band. Exploratory potential energy surfaces and molecular dynamics Journal of Physical Chemistry. 86: 862-865.  1
1982 Pack RT, Valentini JJ, Cross JB. Multiproperty empirical anisotropic intermolecular potentials for ArSF 6 and KrSF6 The Journal of Chemical Physics. 77: 5486-5499.  1
1981 Pack RT. Analytic estimation of almost-resonant molecular energy transfer due to multipolar potentials. II. VV relaxation of the laser levels of CF4 The Journal of Chemical Physics. 76: 5923-5927.  1
1980 Pack RT, Hirschfelder JO. Virial theorem for inelastic molecular collisions. Atom-rigid rotor scattering The Journal of Chemical Physics. 73: 3823-3830.  1
1979 Rice WW, Wampler FB, Oldenborg RC, Lewis WB, Tiee JJ, Pack RT. Spectra and modeling of laser-induced emission from multiple-photon (λ=248.4 nm) irradiation of UF6 The Journal of Chemical Physics. 72: 2948-2958.  1
1979 Pack RT. Pressure broadening of the dipole and Raman lines of CO2 by He and Ar. Temperature dependence The Journal of Chemical Physics. 70: 3424-3433.  1
1979 Pack RT. Analytic estimation of almost resonant molecular energy transfer due to multipolar potentials. VV processes involving CO2 The Journal of Chemical Physics. 72: 6140-6152.  1
1978 Pack RT. Anisotropic potentials and the damping of rainbow and diffraction oscillations in differential cross sections Chemical Physics Letters. 55: 197-201. DOI: 10.1016/0009-2614(78)87001-8  1
1978 Preston RK, Pack RT. Mechanism and rates of rotational relaxation of CO2(OO1) in He and Ar The Journal of Chemical Physics. 69: 2823-2832.  1
1978 Khare V, Kouri DJ, Pack RT. On magnetic transitions and the interpretation of the partial wave parameter in the CS and IOS approximations in molecular scattering theory The Journal of Chemical Physics. 69: 4419-4430.  1
1978 Parker GA, Pack RT. Intermodular potential energy surfaces from electron gas methods III. Angle, distance, and vibrational dependence of the Ar-CO interaction The Journal of Chemical Physics. 69: 3268-3278.  1
1977 Parker GA, Pack RT. Rotationally and vibrationally inelastic scattering in the rotational IOS approximation. Ultrasimple calculation of total (differential, integral, and transport) cross sections for nonspherical molecules The Journal of Chemical Physics. 68: 1585-1601.  1
1977 Pack RT. Further comment on sudden approximations in rotationally inelastic scattering The Journal of Chemical Physics. 66: 5257-5258.  1
1976 Parker GA, Snow RL, Pack RT. Intermolecular potential surfaces from electron gas methods. I. Angle and distance dependence of the He-CO2 and Ar-CO2 interactions The Journal of Chemical Physics. 64: 1668-1678.  1
1976 Pack RT. Simple theory of diffuse vibrational structure in continuous uv spectra of polyatomic molecules. I. Collinear photodissociation of symmetric triatomics The Journal of Chemical Physics. 65: 4765-4770.  1
1976 Nielsen GC, Parker GA, Pack RT. Intermolecular potential surfaces from electron gas methods. II. Angle and distance dependence of the A′ and A″ Ar-NO(X2Π) interactions The Journal of Chemical Physics. 66: 1396-1401.  1
1976 Parker GA, Pack RT. Van der Waals interactions of carbon monoxide The Journal of Chemical Physics. 64: 2010-2012.  1
1976 Pack RT. Van der Waals coefficients through C8 for atom-linear molecule interactions. I. CO2-noble gas systems The Journal of Chemical Physics. 64: 1659-1667.  1
1976 Parker GA, Pack RT. Identification of the partial wave parameter and simplification of the differential cross section in the jzCCS approximation in molecular scattering The Journal of Chemical Physics. 66: 2850-2853.  1
1976 Pack RT. Comment on "Inelastic scattering in atom-diatomic molecule collisions I. Rotational transitions in the sudden approximation" The Journal of Chemical Physics. 64: 1257-1258.  1
1976 Pack RT. Effect of partial wave parameter identification on IOS opacities and integral cross sections for rotationally inelastic collisions The Journal of Chemical Physics. 66: 1557-1561.  1
1976 Goldflam R, Kouri DJ, Preston RK, Pack RT. Surprisal based predictions of classical integral cross sections for rotational transitions in He+CO2 The Journal of Chemical Physics. 66: 2574-2577.  1
1976 Preston RK, Pack RT. Classical trajectory studies of rotational transitions in Ar-CO2 collisions The Journal of Chemical Physics. 66: 2480-2487.  1
1976 Nielson GC, Parker GA, Pack RT. Van der Waals interactions of Π-state linear molecules with atoms. C6 for NO(X2Π) interactions The Journal of Chemical Physics. 64: 2055-2061.  1
1975 Parker GA, Snow RL, Pack RT. Calculation of molecule-molecule intermolecular potentials using electron gas methods Chemical Physics Letters. 33: 399-403. DOI: 10.1016/0009-2614(75)85739-3  1
1974 Pack RT. Space-fixed vs body-fixed axes in atom-diatomic molecule scattering. Sudden approximations The Journal of Chemical Physics. 60: 633-639.  1
1974 Cohen JS, Pack RT. Modified statistical method for intermolecular potentials. Combining rules for higher van der Waals coefficients The Journal of Chemical Physics. 61: 2372-2382.  1
1974 Pack RT. van der Waals interactions of carbon dioxide The Journal of Chemical Physics. 61: 2091-2094.  1
1974 Pack RT. Close coupling test of classical and semiclassical cross sections for rotationally inelastic Ar-N2 collisions The Journal of Chemical Physics. 62: 3143-3148.  1
1973 Tsien TP, Parker GA, Pack RT. Rotationally inelastic molecular scattering. Computational tests of some simple solutions of the strong coupling problem The Journal of Chemical Physics. 59: 5373-5381.  1
1972 Pack RT. Upper and lower bounds to van der Waals force constants from half-integer oscillator strength sums Chemical Physics Letters. 13: 205-208. DOI: 10.1016/0009-2614(72)85042-5  1
1972 Smith WD, Pack RT. Near-resonant vibration-rotation energy transfer in atom-diatom collisions. Ar-OH(A2Σ+) Chemical Physics Letters. 15: 500-504. DOI: 10.1016/0009-2614(72)80358-0  1
1972 Pack RT. Relations between some exponential approximations in rotationally inelastic molecular collisions Chemical Physics Letters. 14: 393-395. DOI: 10.1016/0009-2614(72)80221-5  1
1972 Pack RT. On improved wkb (uniform asymptotic) quantum conditions, dunham corrections, the langer modification, and rkr potentials The Journal of Chemical Physics. 57: 4612-4616.  1
1972 Pack RT, Snow RL, Smith WD. On the mechanism of low-temperature termolecular atomic recombination The Journal of Chemical Physics. 56: 1007-1008.  1
1971 Teachout RR, Pack RT. The static dipole polarizabilities of all the neutral atoms in their ground states Atomic Data and Nuclear Data Tables. 3: 195-214. DOI: 10.1016/S0092-640X(71)80007-4  1
1971 Tsien TP, Pack RT. Rotational excitation in molecular collisions. A many-state test of the strong coupling approximation Chemical Physics Letters. 8: 579-581. DOI: 10.1016/0009-2614(71)80098-2  1
1971 Pack RT. Relativistic long-range potentials from non-integer oscillator strength sums Chemical Physics Letters. 8: 244. DOI: 10.1016/0009-2614(70)85223-X  1
1970 Tsien TP, Pack RT. Rotational excitation in molecular collisions. Corrections to a strong coupling approximation Chemical Physics Letters. 6: 400-402. DOI: 10.1016/0009-2614(70)85175-2  1
1970 Pack RT. Van Der Waals force constants from non-integer oscillator strength sums Chemical Physics Letters. 5: 257-259. DOI: 10.1016/0009-2614(70)85133-8  1
1970 Tsien TP, Pack RT. Rotational excitation in molecular collisions: A strong coupling approximation Chemical Physics Letters. 6: 54-56. DOI: 10.1016/0009-2614(70)80074-4  1
1970 Pack RT, Hirschfelder JO. Adiabatic corrections to long-range born-oppenheimer interatomic potentials The Journal of Chemical Physics. 52: 4198-4211.  1
1970 Pack RT, Hirschfelder JO. Energy corrections to the born-oppenheimer approximation. The best adiabatic approximation The Journal of Chemical Physics. 52: 521-534.  1
1970 Smith WD, Pack RT. Asymptotic evaluation of WKB matrix elements. II. Use of langer's uniform asymptotic wavefunctions The Journal of Chemical Physics. 52: 1381-1396.  1
1969 Pack RT, Dahler JS. Asymptotic evaluation of WKB matrix elements The Journal of Chemical Physics. 50: 2397-2403.  1
1968 Pack RT, Hirschfelder JO. Separation of rotational coordinates from the N-Electron diatomic schrödinger equation The Journal of Chemical Physics. 49: 4009-4020.  1
1968 Tsien TP, Pack RT. Expectation values of simple correlated helium-atom wavefunctions The Journal of Chemical Physics. 49: 4246-4247.  1
1967 Barclay VJ, Dateo CE, Hamilton IP, Kendrick B, Pack RT, Schwenke DW. Anomalous symmetries of the rovibrational states of HO 2: Consequences of a conical intersection Physics of Fluids. 10: 3864-3867.  1
1966 Pack RT, Byers Brown W. Cusp conditions for molecular wavefunctions The Journal of Chemical Physics. 45: 625-627.  1
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