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Author:Rosmus, P.

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Bock, H.; Solouki, B.; Rosmus, P.; Steudel, R., Photoelectron spectra and molecular properties: SSO and OSO, Angew. Chem. Int. Ed. Engl., 1973, 12, 933. [all data]

Rosmus, P.; Dacre, P.D.; Solouki, B.; Bock, H., Hartree-Fock calculations photoelectron spectra of SSO NSF, Theor. Chim. Acta, 1974, 35, 129. [all data]

Solouki, B.; Rosmus, P.; Bock, H., Photoelectron spectra and molecular properties. SCl2-ionization potentials and ab initio SCF calculations, Chem. Phys. Lett., 1974, 26, 20. [all data]

Rosmus, P.; Stafast, H.; Bock, H., Sulphur dicyanide: Ionisation potentials Hartree-Fock calculations, Chem. Phys. Lett., 1975, 34, 275. [all data]

Solouki, B.; Rosmus, P.; Bock, H., Unstable intermediates. 4. Thioformaldehyde, J. Am. Chem. Soc., 1976, 98, 6054. [all data]

Solouki, B.; Rosmus, P.; Bock, H., Photoelektronen-spektrum von HN=S=O, Angew. Chem., 1976, 88, 381. [all data]

Bock, H.; Solouki, B.; Bert, G.; Rosmus, P., Unstable Intermediates.5.(1)Thioketene, J. Am. Chem. Soc., 1977, 99, 1663. [all data]

Hall, D.; Maier, J.P.; Rosmus, P., Electronic states of ketene radical cation, Chem. Phys., 1977, 24, 373. [all data]

Rosmus, P.; Solouki, B.; Bock, H., Ground and excited states of thioketene radical cation, H2CCS+, Chem. Phys., 1977, 22, 453. [all data]

Bock, H.; Aygen, S.; Rosmus, P.; Solouki, B., Analyse und optimierung von gasphasen-reaktionen. XVII. Selenoketen, Chem. Ber., 1980, 113, 3187. [all data]

Solouki, B.; Rosmus, P.; Bock, H.; Maier, G., Short-path pyrolysis: Silabenzene, Angew. Chem. Int. Ed. Engl., 1980, 19, 51. [all data]

Rosmus, P.; Botschwina, P.; Maier, J.P., On the ionic states of vinylidene and acetylene, Chem. Phys. Lett., 1981, 84, 71. [all data]

Bock, H.; Aygen, S.; Rosmus, P.; Solouki, B.; Weissflog, E., Gasphasen-reaktionen,40. Selenoformaldehyd: Hochkorrelierte wellenfunktion und photoelektronenspektroskopischer nachweis, Chem. Ber., 1984, 117, 187. [all data]

Bock, H.; Rosmus, P.; Solouki, B.; Maier, G., Gas phase reactions. XXXXVI. Silabenzene: Photoelectron spectrum from 1-sila-2,5-hexadiene pyrolysis and assignment of valence ionisation energies, J. Organomet. Chem., 1984, 271, 145. [all data]

Dyke, J.M.; Kirby, C.; Morris, A.; Gravenor, B.W.J.; Klein, R.; Rosmus, P., A study of aluminium monofluoride and aluminium trifluoride by high-temperature photoelectron spectroscopy, Chem. Phys., 1984, 88, 289. [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]

Block, E.; Bock, H.; Mohmand, S.; Rosmus, P.; Solouki, B., Photoelektronen-Spektrum von H2C«63742»S«63742»O, Angew. Chem., 1976, 88, 11, 380, https://doi.org/10.1002/ange.19760881112 . [all data]

Bock, H.; Solouki, B.; Rosmus, P.; Steudel, R., Photoelektronen-Spektren und Moleküleigenschaften: SSO versus OSO, Angew. Chem., 1973, 85, 22, 987, https://doi.org/10.1002/ange.19730852212 . [all data]

Chen, W.; Hochlaf, M.; Rosmus, P.; He, G.Z.; Ng, C.Y., Vacuum ultraviolet pulsed field ionization-photoelectron study of OCS in the energy range of 15--19 eV, J. Chem. Phys., 2002, 116, 13, 5612, https://doi.org/10.1063/1.1455622 . [all data]

Liu, J.; Hochlaf, M.; Chambaud, G.; Rosmus, P.; Ng, C.Y., High Resolution Pulsed Field Ionization-Photoelectron Bands for CS, J. Phys. Chem. A, 2001, 105, 11, 2183, https://doi.org/10.1021/jp001998n . [all data]

Leonard, C.; Panten, D.; Rosmus, P.; Wyss, M.; Maier, J.P., Theoretical study of the A--X transition in C2B-, Chem. Phys., 2001, 264, 3, 267, https://doi.org/10.1016/S0301-0104(01)00249-X . [all data]

Lakin, N.M.; Pachkov, M.; Tulej, M.; Maier, J.P.; Chambaud, G.; Rosmus, P., Theoretical and experimental study of the A[sup 2]«PI»[sub u]--X[sup 2]«PI»[sub g] band system of C[sub 7][sup -], J. Chem. Phys., 2000, 113, 21, 9586, https://doi.org/10.1063/1.1321768 . [all data]

Linnartz, H.; Verdes, D.; Knowles, P.J.; Lakin, N.M.; Rosmus, P.; Maier, J.P., Linear and centrosymmetric N[sub 2]...Ar[sup +]...N[sub 2], J. Chem. Phys., 2000, 113, 3, 895, https://doi.org/10.1063/1.481868 . [all data]

Rosmus, P.; Bock, H.; Solouki, B.; Maier, G.; Mihm, G., Silaethen: Hochkorrelierte Wellenfunktion und photoelektronen-spektroskopischer Nachweis, Angew. Chem., 1981, 93, 6-7, 616, https://doi.org/10.1002/ange.19810930638 . [all data]

Riaplov, E.; Wyss, M.; Maier, J.P.; Hochlaf, M.; Rosmus, P., Electronic and infrared absorption spectra of NCCN+, Int. J. Mass Spectrom., 2003, 223/224, 107, https://doi.org/10.1016/S1387-3806(02)00784-4 . [all data]

Riaplov, E.; Wyss, M.; Maier, J.P.; Panten, D.; Chambaud, G.; Rosmus, P.; Fabian, J., Electronic absorption spectra of CCS- and CCS in neon matrices, J. Mol. Spectrosc., 2003, 222, 1, 15, https://doi.org/10.1016/S0022-2852(02)00050-4 . [all data]

Stimson, S.; Evans, M.; Ng, C.Y.; Hsu, C.-W.; Heimann, P.; Destandau, C.; Chambaud, G.; Rosmus, P., High resolution vacuum ultraviolet pulsed field ionization photoelectron band for OCS[sup +](X [sup 2]«PI»): An experimental and theoretical study, J. Chem. Phys., 1998, 108, 15, 6205, https://doi.org/10.1063/1.476027 . [all data]

Shnitko, I.; Fulara, J.; Batalov, A.; Gillery, C.; Masso, H.; Rosmus, P.; Maier, J.P., J. Phys. Chem. A, 2006, 110, 9, 2885, https://doi.org/10.1021/jp054331f . [all data]

Verdes, D.; Linnartz, H.; Maier, J.P.; Botschwina, P.; Oswald, R.; Rosmus, P.; Knowles, P.J., Spectroscopic and theoretical characterization of linear centrosymmetric N[Triple Bond]N**H[sup +]**N[Triple Bond]N, J. Chem. Phys., 1999, 111, 18, 8400, https://doi.org/10.1063/1.480181 . [all data]

Wyss, M.; Riaplov, E.; Batalov, A.; Maier, J.P.; Weber, T.; Meyer, W.; Rosmus, P., Electronic absorption spectra of B[sub 3] and B[sub 3][sup -] in neon matrices and ab initio analysis of the vibronic structure, J. Chem. Phys., 2003, 119, 18, 9703, https://doi.org/10.1063/1.1613251 . [all data]

Wyss, M.; Riaplov, E.; Maier, J.P.; Hochlaf, M.; Rosmus, P., The A1«PI»(u)<--X1«SIGMA» Electronic Transition of CCN+ and CNC+, Helv. Chim. Acta, 2001, 84, 6, 1432, https://doi.org/10.1002/1522-2675(20010613)84:6<1432::AID-HLCA1432>3.0.CO;2-S . [all data]

Meyer, W.; Rosmus, P., PNO-Cl and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydrides, J. Chem. Phys., 1975, 63, 2356. [all data]

Rosmus, P.; Meyer, W., Spectroscopic constants and the dipole moment functions for the 1«SIGMA»+ ground state of NaLi, J. Chem. Phys., 1976, 65, 492. [all data]

Rosmus, P.; Meyer, W., PNO-Cl and CEPA studies of electron correlation effects. VI. Electron affinities of the first-row and second-row diatomic hydrides and the spectroscopic constants of their negative ions, J. Chem. Phys., 1978, 69, 2745-2751. [all data]

Rosmus, P., Molecular constants for the 1«SIGMA»+ ground state of the ArH+ ion, Theor. Chim. Acta, 1979, 51, 359-362. [all data]

Rosmus, P.; Reinsch, E.-A., Calculation of molecular constants for the 1«SIGMA»+ ground states of the NeH+ and KrH+ ions, Z. Naturforsch. A, 1980, 35, 1066-1070. [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]

Rosmus, P.; Meyer, W., Comment on the dissociation energies of AH+ ground states, J. Chem. Phys., 1981, 74, 4217. [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]

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]

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 X2«SIGMA»+ and A2«PI» 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 X1«SIGMA»+ state of SiO and the X2«SIGMA»+ and A2«PI» 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 X1«SIGMA»+ 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]

Dyke, J.M.; Kirby, C.; Morris, A.; Gravenor, B.W.J.; Klein, R.; Rosmus, P., A study of aluminium monofluoride and aluminium trifluoride by high-temperature photoelectron spectroscopy, Chem. Phys., 1984, 88, 289-298. [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]

Klein, R.; Rosmus, P., Calculation of infrared transition probabilities for the 1«SIGMA»+ groundstate of XeH+, Z. Naturforsch. A, 1984, 39, 349-353. [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.; 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]

Botschwina, P.; Rosmus, P., An ab initio calculation of spectroscopic properties of SiO and HOSi+, J. Chem. Phys., 1985, 82, 1420-1426. [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]

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]

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]

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 A1«PI»u C2, J. Chem. Phys., 1987, 87, 2847-2853. [all data]

Chambaud, G.; Rosmus, P., Theoretical radiative lifetimes in NO+(X1«SIGMA»+), Chem. Phys. Lett., 1990, 165, 429-431. [all data]

Schlachta, R.; Fischer, I.; Rosmus, P.; Bondybey, V.E., The simplest heteronuclear metal cluster: LiBe, Chem. Phys. Lett., 1990, 170, 485-491. [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]

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]

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]

Rosmus, P.; Botschwina, P.; Maier, J.P., Chem. Phys. Lett., 1981, 84, 71-6. [all data]