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Author:Roos, B.

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26 matching references were found.

Wennerstrom, H.; Forsen, S.; Roos, B., J. Phys. Chem., 1972, 76, 2430-6. [all data]

Hotokka, M.; Roos, B.; Siegbahn, P., CASSCF study of reaction of singlet molecular oxygen with ethylene. Reactio n paths with C2v and Cs symmetries, J. Am. Chem. Soc., 1983, 105, 5263-5269. [all data]

Karlstrom, G.; Jonsson, B.; Roos, B.; Wennerstrom, H., J. Am. Chem. Soc., 1976, 98, 6851-4. [all data]

Karlstrom, G.; Wennerstrom, H.; Jonsson, B.; Forsen, S.; Almlof, J.; Roos, B., J. Am. Chem. Soc., 1975, 97, 4188-92. [all data]

Andrews, L.; Wang, X.; Lindh, R.; Roos, B.O.; Marsden, C.J., Simple N«63741»UF, Angew. Chem. Int. Ed., 2008, 47, 29, 5366, https://doi.org/10.1002/anie.200801120 . [all data]

Andrews, L.; Wang, X.; Roos, B.O., As«equiv»UF, Inorg. Chem., 2009, 48, 14, 6594, https://doi.org/10.1021/ic9005696 . [all data]

Bauschlicher, C.W., Jr.; Zhou, M.; Andrews, L.; Tobias Johnson, J.R.; Panas, I.; Snis, A.; Roos, B.O., A Further Study of the Products of Scandium and Dioxygen Reactions, J. Phys. Chem. A, 1999, 103, 28, 5463, https://doi.org/10.1021/jp9908808 . [all data]

Lyon, J.T.; Andrews, L.; Malmqvist, P.-A.; Roos, B.O.; Yang, T.; Bursten, B.E., Infrared Spectrum and Bonding in Uranium Methylidene Dihydride, CH, Inorg. Chem., 2007, 46, 12, 4917, https://doi.org/10.1021/ic062407w . [all data]

Wang, X.; Andrews, L.; Malmqvist, P.-A.; Roos, B.O.; Goncalves, A.P.; Pereira, C.C.L.; Marcalo, J.; Godart, C.; Villeroy, B., Infrared Spectra and Quantum Chemical Calculations of the Uranium Carbide Molecules UC and CUC with Triple Bonds, J. Am. Chem. Soc., 2010, 132, 24, 8484, https://doi.org/10.1021/ja102475t . [all data]

Agren, H.; Bagus, P.S.; Roos, B.O., Symmetry adapted versus symmetry broken wavefunctions: the 1s core level ions of O2+, Chem. Phys. Lett., 1981, 82, 505-510. [all data]

Jaszunski, M.; Roos, B.O.; Widmark, P.-O., A CASSCF study of the potential curves for the X1«SIGMA»+, B1«SIGMA»+, and A1«PI» states of the BH molecule, J. Chem. Phys., 1981, 75, 306-314. [all data]

Jonsson, B.; Roos, B.O.; Taylor, P.R.; Siegbahn, P.E.M., MCSCF-Cl calculations of the ground state potential curves of LiH, Li2, and F2, J. Chem. Phys., 1981, 74, 4566-4575. [all data]

Blomberg, M.R.A.; Siegbahn, P.E.M.; Roos, B.O., A theoretical study of NiH. Optical spectrum and potential curves, Mol. Phys., 1982, 47, 127-143. [all data]

Roos, B.O.; Sadlej, A.J., Complete active space (CAS) SCF study of the dipole polarizability function for the X1«SIGMA»+ state of LiH, J. Chem. Phys., 1982, 76, 5444-5451. [all data]

Diercksen, G.H.F.; Kello, V.; Roos, B.O.; Sadlej, A.J., Perturbation theory of the electron correlation effects for atomic and molecular properties. VI. Complete active space (CAS) SCF and MBPT calculations of electric properties of the FH molecule, Chem. Phys., 1983, 77, 93-101. [all data]

Walch, S.P.; Bauschlicher, C.W., Jr.; Roos, B.O.; Nelin, C.J., Theoretical evidence for multiple 3d bonding in the V2 and Cr2 molecules, Chem. Phys. Lett., 1983, 103, 175-179. [all data]

Dmitriev, Y.Yu.; Roos, B.O., Theory and computatioonal methods for studies of nonlinear phenomena in laser spectroscopy. I. General formalism, Int. J. Quantum Chem., 1984, 26, 35-49. [all data]

Jaszunski, M.; Roos, B.O., An ab initio study of the non-linear optical properties of the He atom and the H2 molecule, Mol. Phys., 1984, 52, 1209-1224. [all data]

Roos, B.O.; Dmitriev, Y.Yu.; Hotokka, M., Theory and computational methods for studies of nonlinear phenomena in laser spectroscopy. II. Calculations of steady-state wave functions, Int. J. Quantum Chem., 1984, 26, 51-68. [all data]

Roos, B.O.; Sadlej, A.J., Polarized basis sets for accurate predictions of molecular electric properties. Electric moments of the LiH molecule, Chem. Phys., 1985, 94, 43-53. [all data]

Matos, J.M.O.; Malmqvist, P.-A.; Roos, B.O., A CASSCF study of the potential curves for the X1«SIGMA»+, A1«PI», and C1«SIGMA»+ states of the AlH molecule, J. Chem. Phys., 1987, 86, 5032-5042. [all data]

Mauricio, J.; Matos, O.; Kello, V.; Roos, B.O.; Sadlej, A.J., A theoretical study of the A1«PI» <-- X1«SIGMA»+ system of SiH+, J. Chem. Phys., 1988, 89, 423-432. [all data]

Fulscher, M.P.; Jaszunski, M.; Roos, B.O.; Kraemer, W.P., A restricted active space self-consistent field and multireference configuration interaction study of the lifetime of the A3«PI» state of SO, J. Chem. Phys., 1992, 96, 504-512. [all data]

Malmquist, P.A.; Lindh, R.; Roos, B.O.; Ross, S., An ab initio study of the molecular structure and vibration-rotation spectrum of the triplet radical HCCN (cyanomethylene and etheniminediyl), Theor. Chim. Acta, 1988, 73, 155. [all data]

Lindh, R.; Roos, B.O.; Jonsall, G.; Ahlberg, P., J. Am. Chem. Soc., 1986, 108, 6554-61. [all data]

Kraemer, W.P.; Roos, B.O.; Bunker, P.R.; Jensen, P., J. Mol. Spectrosc., 1986, 120, 236. [all data]