Veröffentlichungen zu Schwenke, David W.. | |||
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Schwenke, David W. |
A first principle effective Hamiltonian for including nonadiabatic effects for H2+ and HD+ In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 114, No. 4 (2001), p. 1693-1699 Zugang: zum Volltext ähnliche Vorschläge |
2001 |
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Schwenke, David W. |
Calculations of rate constants for the three-body recombination of H2 in the presence of H2 In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 89, No. 4 (1988), p. 2076-2091 Zugang: zum Volltext ähnliche Vorschläge |
1988 |
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Schwenke, David W. |
A theoretical prediction of hydrogen molecule dissociation-recombination rates including an accurate treatment of internal state nonequilibrium effects In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 92, No. 12 (1990), p. 7267-7282 Zugang: zum Volltext ähnliche Vorschläge |
1990 |
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Schwenke, David W. |
The optimization of single mode basis functions for polyatomic vibrational problems with application to the water molecule In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 96, No. 5 (1992), p. 3426-3430 Zugang: zum Volltext ähnliche Vorschläge |
1992 |
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Schwenke, David W.. |
Comparison of cross sections from the quasi-classical trajectory method and the jz-conserving centrifugal sudden approximation with accurate quantum results for an atom-rigid... In: The journal of physical chemistry Zugang: zum Volltext ähnliche Vorschläge |
1993 |
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Schwenke, David W.. |
Quantum mechanical algebraic variational methods for inelastic and reactive molecular collisions In: The journal of physical chemistry Zugang: zum Volltext ähnliche Vorschläge |
1988 |
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Schwenke, David W.. |
Variational basis-set calculations of accurate quantum mechanical reaction probabilities In: The journal of physical chemistry Zugang: zum Volltext ähnliche Vorschläge |
1987 |
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Chatfield, David C.. |
Control of chemical reactivity by quantized transition states In: The journal of physical chemistry Zugang: zum Volltext ähnliche Vorschläge |
1992 |
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Chatfield, David C.. |
Global control of suprathreshold reactivity by quantized transition states In: American Chemical Society: Journal of the American Chemical Society. - Washington, DC : American Chemical Society, ISSN 1520-5126, Vol. 113, No. 2 (1991), p. 486-494 Zugang: zum Volltext ähnliche Vorschläge |
1991 |
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Schwenke, David W. |
A new method for the direct calculation of resonance parameters with application to the quasibound states of the H2X1Σ g + system in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 74 (5. 1988), p. 381-402 Zugang: zum Volltext ähnliche Vorschläge |
1988 |
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Partridge, Harry., Schwenke, David W.. |
The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 106, No. 11 (1997), p. 4618-4639 Zugang: zum Volltext ähnliche Vorschläge |
1997 |
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Schwenke, David W.., Partridge, Harry. |
Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 113, No. 16 (2000), p. 6592-6597 Zugang: zum Volltext ähnliche Vorschläge |
2000 |
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Eaker, Charles W.., Schwenke, David W.. |
A fast Fourier transform method for the quasiclassical selection of initial rovibrational states of triatomic molecules In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 103, No. 16 (1995), p. 6984-6992 Zugang: zum Volltext ähnliche Vorschläge |
1995 |
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Schwenke, David W.., Truhlar, Donald G.. |
Erratum: Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules [J. Chem. Phys. 82, 2418 (1985); 84, 4113(E) (1986)] In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 86, No. 6 (1987), p. 3760-3760 Zugang: zum Volltext ähnliche Vorschläge |
1987 |
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Schwenke, David W.., Truhlar, Donald G.. |
Accurate partial resonance widths for collinear reactive collisions In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 87, No. 2 (1987), p. 1095-1106 Zugang: zum Volltext ähnliche Vorschläge |
1987 |
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Schwenke, David W.., Truhlar, Donald G.. |
A new potential energy surface for vibration–vibration coupling in HF–HF collisions. Formulation and quantal scattering calculations In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 88, No. 8 (1988), p. 4800-4813 Zugang: zum Volltext ähnliche Vorschläge |
1988 |
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Schwenke, David W.., Truhlar, Donald G.. |
Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 82, No. 5 (1985), p. 2418-2426 Zugang: zum Volltext ähnliche Vorschläge |
1985 |
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Schwenke, David W.., Truhlar, Donald G.. |
The effect of Wigner singularities on low-temperature vibrational relaxation rates In: The Journal of Chemical Physics. - College Park, Md. : Inst., ISSN 1089-7690, Vol. 83, No. 7 (1985), p. 3454-3461 Zugang: zum Volltext ähnliche Vorschläge |
1985 |
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Schwenke, David W.., Truhlar, Donald G.. |
Converged calculations of rotational energy transfer in HF—HF collisions in: Journal of Computational Chemistry, in: Journal of Computational Chemistry . - New York, NY [u.a.] : Wiley, ISSN 0192-8651, ZDB-ID 1479181-x Vol. 8 (4. 1987), p. 282-290 Zugang: zum Volltext ähnliche Vorschläge |
1987 |
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Schwenke, David W., Truhlar, Donald G. |
Converged close coupling calculations for V-V energy transfer: 2HF(v=1)→HF(v=2)+HF(v=0) in: Theoretical chemistry accounts , ISSN 1432-2234, Vol. 69 (2. 1986), p. 175-178 Zugang: zum Volltext ähnliche Vorschläge |
1986 |