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Werner, H.

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Herzschuh, R.; Mann, G.; Werner, H.; Mende, E., Stereochemical effects in electron impact mass spectra of cis-trans isomeric 1,2,4,5-tetramethylcyclohexanes, Org. Mass Spectrom., 1981, 16, 358-360. [all data]

Miller, S.; Tennyson, J.; Follmeg, B.; Rosmus, P.; Werner, H., Ab initio Investigation of the Bond Rovibrational States in the Electronic Ground State of HeN2+, J. Chem. Phys., 1988, 89, 4, 2178, https://doi.org/10.1063/1.455062 . [all data]

Peterson, K.A.; Werner, H., Multireference configuration interaction calculations of the low-lying electronic states of ClO2, J. Chem. Phys., 1992, 96, 12, 8948, https://doi.org/10.1063/1.462253 . [all data]

Werner, H.; Kühn, A., Angew. Chem. Int. Ed. Engl., 1979, 18, 416. [all data]

Werner, H.; Prinz, R., Chem. Ber., 1966, 99, 3582. [all data]

Meerwein, H.; Rathjen, H.; Werner, H., Chem. Ber., 1942, 75, 1610. [all data]

Mann, G.; Werner, H.; Muehlstaedt, M.; Engewald, W., Conformation and Physical Data of Alkanes and Cyclanes. VI. Synthesis and Properties of Isomeric 1,2,4,5-Tetramethylcyclohexanes, Tetrahedron, 1971, 27, 3223-30. [all data]

Werner, H.-J.; Rosmus, P., Theoretical dipole moment functions of the HF, HCl, and HBr molecules, J. Chem. Phys., 1980, 73, 2319-2328. [all data]

Werner, H.-J., MCSCF calculation of the dipole moment function of CO, Mol. Phys., 1981, 44, 111-123. [all data]

Werner, H.-J.; Meyer, W., MCSCF study of the avoided curve crossing of the two lowest ¹Σ⁺ states of LiF, J. Chem. Phys., 1981, 74, 5802-5807. [all data]

Werner, H.-J.; Reinsch, E.-A.; Rosmus, P., Ab initio calculation of the dipole moment function of hydrogen iodide, Chem. Phys. Lett., 1981, 78, 311-315. [all data]

Rosmus, P.; Werner, H.-J.; Grimm, M., Ab initio calculations of infrared transition rates in the ground states of BF and BF⁺, Chem. Phys. Lett., 1982, 92, 250-256. [all data]

Rosmus, P.; Werner, H.-J., Ab initio calculations of radiative transition probabilities in the X²Σ⁺ and A²Π electronic states of CO⁺, Mol. Phys., 1982, 47, 661-672. [all data]

Werner, H.-J.; Rosmus, P.; Grimm, M., Ab initio calculations of radiative transition probabilities in the X¹Σ⁺ state of SiO and the X²Σ⁺ and A²Π states of SiO⁺, Chem. Phys., 1982, 73, 169-178. [all data]

Werner, H.-J.; Rosmus, P., Ab initio calculations of radiative transition probabilities in the X¹Σ⁺ ground state of the NO⁺ ion, J. Mol. Spectrosc., 1982, 96, 362-367. [all data]

Werner, H.-J.; Rosmus, P.; Reinsch, E.-A., Molecular properties from MCSCF-SCEP wave functions. I. Accurate dipole moment functions of OH, OH^-, and OH⁺, J. Chem. Phys., 1983, 79, 905-916. [all data]

Rosmus, P.; Werner, H.-J., Multireference-Cl calculations of radiative transition probabilities in C₂^-, J. Chem. Phys., 1984, 80, 5085-5088. [all data]

Senekowitsch, J.; Rosmus, P.; Domcke, W.; Werner, H.-J., An accurate potential energy function of the H₂^- ion at large internuclear distances, Chem. Phys. Lett., 1984, 111, 211-214. [all data]

Werner, H.-J.; Kalcher, J.; Reinsch, E.-A., Accurate ab intio calculations of radiative transition probabilities between the A³Σ_u⁺, B³Π_g, W³Δ_u, B'³Σ_u^-, and C³Π_u states of N₂, J. Chem. Phys., 1984, 81, 2420-2431. [all data]

Werner, H.-J.; Rosmus, P.; Schatzi, W.; Meyer, W., PNO-CEPA and MCSCF-SCEP calculations of transition probabilities in OH, HF⁺, and HCl⁺, J. Chem. Phys., 1984, 80, 831-839. [all data]

Knowles, P.J.; Werner, H.-J., An efficient second-order MC SCF method for long configuration expansions, Chem. Phys. Lett., 1985, 115, 259-267. [all data]

Senekowitsch, J.; Werner, H.-J.; Rosmus, P.; Reinsch, E.-A., Ab initio calculations of radiative transition probabilities in SH, SH⁺, and SH^-, J. Chem. Phys., 1985, 83, 4661-4667. [all data]

Werner, H.-J.; Martin, R.L., Unlinked cluster and relativistic contributions to the bonding in Cu₂, Chem. Phys. Lett., 1985, 113, 451-456. [all data]

Banks, A.J.; Clary, D.C.; Werner, H.-J., Vibrational relaxation of N₂ by collision with He atoms, J. Chem. Phys., 1986, 84, 3788-3797. [all data]

Langhoff, S.R.; Werner, H.-J.; Rosmus, P., Theoretical transition probabilities for the OH Meinel system, J. Mol. Spectrosc., 1986, 118, 507-529. [all data]

Manz, U.; Zilch, A.; Rosmus, P.; Werner, H.-J., MCSCF-Cl calculations of infrared transition probabilities in the CH^- and NH^- ions, J. Chem. Phys., 1986, 84, 5037-5044. [all data]

ONeil, S.V.; Rosmus, P.; Norcross, D.W.; Werner, H.-J., Bound electronic states of HCl^-, J. Chem. Phys., 1986, 85, 7232-7240. [all data]

Rosmus, P.; Werner, H.-J.; Reinsch, E.-A.; Larsson, M., Multireference CI calculations of radiative transition probabilities between low lying quartet states of the C₂⁺ ion, J. Electron Spectrosc. Relat. Phenom., 1986, 41, 289-296. [all data]

Werner, H.-J.; Buckingham, A.D., An accurate ab initio calculation of the dipole moment function of GeH, Chem. Phys. Lett., 1986, 125, 433-437. [all data]

Follmeg, B.; Rosmus, P.; Werner, H.-J., Vibrational-rotation transition probabilities in CH⁺ and CD⁺, Chem. Phys. Lett., 1987, 136, 562-565. [all data]

ONeil, S.V.; Rosmus, P.; Werner, H.-J., The radiative lifetime of A¹Π_u C₂, J. Chem. Phys., 1987, 87, 2847-2853. [all data]

Alexander, M.H.; Werner, H.-J.; Dagdigian, P.J., Energetics and spin- and Λ-doublet selectivity in the infrared multiphoton dissociation HN₃(X«tilde»¹A') → N₂(X¹Σ_g⁺) + NH(X³Σ^-, a¹Δ): theory, J. Chem. Phys., 1988, 89, 1388-1400. [all data]

Knowles, P.J.; Werner, H.-J.; Hay, P.J.; Cartwright, D.C., The A²Π-X²Σ⁺ red and B²Σ⁺-X²Σ⁺ violet systems of the CN radical: accurate multireference configuration interaction calculations of the radiative transition probabilities, J. Chem. Phys., 1988, 89, 7334-7343. [all data]

Furio, N.; Ali, A.; Dagdigian, P.J.; Werner, H.-J., Laser excitation of the overlapping CN B-A (8, 7) and B-X (8, 11) bands: the relative phase of the B-A and B-X transition moments, J. Mol. Spectrosc., 1989, 134, 199-213. [all data]

Senekowitsch, J.; ONeil, S.V.; Werner, H.-J.; Knowles, P.J., Ab initio calculation of the X²Σ⁺ and A²Π states of CF⁺⁺, J. Chem. Phys., 1990, 93, 562-569. [all data]

Glenewinkel-Meyer, T.; Muller, B.; Ottinger, C.; Rosmus, P.; Knowles, P.J.; Werner, H.-J., Ab initio calculations on the four lowest electronic states of AlF⁺ and AlCl⁺, J. Chem. Phys., 1991, 95, 5133-5141. [all data]

Werner, H.-J.; Knowles, P.J., Accurate multireference configuration interaction calculations of the potential energy function and the dissociation energy of N₂, J. Chem. Phys., 1991, 94, 1264-1270. [all data]

Rossini, F.D.; Pitzer, K.S.; Taylor, W.J.; Ebert, J.P.; Kilpatrick, J.E.; Beckett, C.W.; Williams, M.G.; Werner, H.G., Selected values of prop. of hydrocarbon., Nat. Bur. Stand. Cir. (U. S.), C-461, 1947. [all data]

Kilpatrick, J.E.; Werner, H.G.; Beckett, C.W.; Pitzer, K.S.; Rossini, F.D., Heats, equilibrium constants, and free energies of formation of the alkylcyclopentanes and alkylcyclohexanes., J. Res. Natl. Bur. Stand. (U. S.), 1947, 39, 523. [all data]

Rossini, F.D.; Pitzer, K.S.; Taylor, W.J.; Ebert, J.P.; Kilpatrick, J.E.; Beckett, C.W.; Williams, M.G.; Werner, H.G., , Natl. Bur. Stand. Circ. 461 1977, 1977. [all data]

Klein, R.; Rosmus, P.; Werner, H.J., Ab initio calculations of low lying states of the BH⁺ and AlH⁺ ions, J. Chem. Phys., 1982, 77, 3559-3570. [all data]

Klein, R.; Rosmus, P.; Werner, H.J., Erratum: Ab initio calculations of low lying states of the BH⁺ and AlH⁺ ions [Ref.: J. Chem. Phys., 1982, Vol. 77, 3559, J. Chem. Phys., 1984, 80, 2987. [all data]

Senekowitsch, J.; Rosmus, P.; Werner, H.J.; Larsson, M., MCSCF-CI calculations of radiative transition probabilities of PH and PD, Z. Naturforsch. A, 1986, 41, 719-723. [all data]

Fischer, I.; Bondybey, V.E.; Rosmus, P.; Werner, H.J., Theoretical study of the electronic states of BeLi and Be₂⁺, Chem. Phys., 1991, 151, 295-308. [all data]

Senekowitsch, J.; Carter, S.; Zilch, A.; Werner, H.J.; Handy, N.C.; Rosmus, P., Theoretical rotational-vibrational spectrum of hydrogen sulfide, J. Chem. Phys., 1989, 90, 783. [all data]

Botschwina, P.; Zilch, A.; Werner, H.J.; Rosmus, P.; Reinsch, E.A., Ab initio calculation of potential energy surfaces and spectroscopic prop- erties of H2O and H3S+, J. Chem. Phys., 1986, 85, 5107. [all data]