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Results: 1-14 |
Results: 14
Vibrational energy levels for CH4 from an ab initio potential
Authors: Schwenke, DW Partridge, H
Citation: Dw. Schwenke et H. Partridge, Vibrational energy levels for CH4 from an ab initio potential, SPECT ACT A, 57(4), 2001, pp. 887-895
Beyond the potential energy surface: Ab initio corrections to the Born-Oppenheimer approximation for H2O
Authors: Schwenke, DW
Citation: Dw. Schwenke, Beyond the potential energy surface: Ab initio corrections to the Born-Oppenheimer approximation for H2O, J PHYS CH A, 105(11), 2001, pp. 2352-2360
A first principle effective Hamiltonian for including nonadiabatic effectsfor H-2(+) and HD+
Authors: Schwenke, DW
Citation: Dw. Schwenke, A first principle effective Hamiltonian for including nonadiabatic effectsfor H-2(+) and HD+, J CHEM PHYS, 114(4), 2001, pp. 1693-1699
Is the Lamb shift chemically significant?
Authors: Dyall, KG Bauschlicher, CW Schwenke, DW Pyykko, P
Citation: Kg. Dyall et al., Is the Lamb shift chemically significant?, CHEM P LETT, 348(5-6), 2001, pp. 497-500
An accurate isotopically invariant potential function of the hydrogen sulphide molecule
Authors: Tyuterev, VG Tashkun, SA Schwenke, DW
Citation: Vg. Tyuterev et al., An accurate isotopically invariant potential function of the hydrogen sulphide molecule, CHEM P LETT, 348(3-4), 2001, pp. 223-234
Do semiclassical trajectory theories provide an accurate picture of radiationless decay for systems with accessible surface crossings?
Authors: Hack, MD Jasper, AW Volobuev, YL Schwenke, DW Truhlar, DG
Citation: Md. Hack et al., Do semiclassical trajectory theories provide an accurate picture of radiationless decay for systems with accessible surface crossings?, J PHYS CH A, 104(2), 2000, pp. 217-232
Experimental and ab initio studies of the HDO absorption spectrum in the 13165-13500 cm(-1) spectral region
Authors: Naumenko, O Bertseva, E Campargue, A Schwenke, DW
Citation: O. Naumenko et al., Experimental and ab initio studies of the HDO absorption spectrum in the 13165-13500 cm(-1) spectral region, J MOL SPECT, 201(2), 2000, pp. 297-309
What is the best semiclassical method for photochemical dynamics of systems with conical intersections? (vol 109, pg 3321, 1998)
Authors: Topaler, MS Allison, TC Schwenke, DW Truhlar, DG
Citation: Ms. Topaler et al., What is the best semiclassical method for photochemical dynamics of systems with conical intersections? (vol 109, pg 3321, 1998), J CHEM PHYS, 113(9), 2000, pp. 3928-3928
Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities
Authors: Schwenke, DW Partridge, H
Citation: Dw. Schwenke et H. Partridge, Convergence testing of the analytic representation of an ab initio dipole moment function for water: Improved fitting yields improved intensities, J CHEM PHYS, 113(16), 2000, pp. 6592-6597
Variational EKE-calculations of rovibrational energies of the ozone molecule from an empirical potential function
Authors: Tyuterev, VG Tashkun, SA Schwenke, DW Jensen, P Cours, T Barbe, A Jacon, M
Citation: Vg. Tyuterev et al., Variational EKE-calculations of rovibrational energies of the ozone molecule from an empirical potential function, CHEM P LETT, 316(3-4), 2000, pp. 271-279
A theoretical study of the re-vibrational spectrum of the X state of CH3
Authors: Schwenke, DW
Citation: Dw. Schwenke, A theoretical study of the re-vibrational spectrum of the X state of CH3, SPECT ACT A, 55(3), 1999, pp. 731-738
Quantum mechanical and quasiclassical trajectory surface hopping studies of the electronically nonadiabatic predissociation of the (A)over-tilde state of NaH2
Authors: Hack, MD Jasper, AW Volobuev, YL Schwenke, DW Truhlar, DG
Citation: Md. Hack et al., Quantum mechanical and quasiclassical trajectory surface hopping studies of the electronically nonadiabatic predissociation of the (A)over-tilde state of NaH2, J PHYS CH A, 103(32), 1999, pp. 6309-6326
Transition state resonances in the reaction Cl+H-2 -> HCl+H
Authors: Srinivasan, J Allison, TC Schwenke, DW Truhlar, DG
Citation: J. Srinivasan et al., Transition state resonances in the reaction Cl+H-2 -> HCl+H, J PHYS CH A, 103(11), 1999, pp. 1487-1503
What is the best semiclassical method for photochemical dynamics of systems with conical intersections? (vol 109, pg 3321, 1998)
Authors: Topaler, MS Allison, TC Schwenke, DW Truhlar, DG
Citation: Ms. Topaler et al., What is the best semiclassical method for photochemical dynamics of systems with conical intersections? (vol 109, pg 3321, 1998), J CHEM PHYS, 110(1), 1999, pp. 687-688
Risultati: 1-14 |