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Author:Hess, B.A.

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33 matching references were found.

Hess, B.A.; Buenker, R.J.; Marian, C.M.; Peyerimhoff, S.D., Ab initio calculation of the zero-field splittings of the X3Σg- and B3Πg,i states of the S2 molecule, Chem. Phys., 1982, 71, 79-85. [all data]

Marian, C.M.; Marian, R.; Peyerimhoff, S.D.; Hess, B.A.; Buenker, R.J.; Seger, G., Ab initio CI calculation of O2+ predissociation phenomena induced by a spin-orbit coupling mechanism, Mol. Phys., 1982, 46, 779-810. [all data]

Klotz, R.; Marian, C.M.; Peyerimhoff, S.D.; Hess, B.A.; Buenker, R.J., Study of the dependence of spin-orbit matrix elements on AO basis set composition for inner and valence shells: results for the multiplet splitting of X3Σ- and C3Π of SO and X2Π in SO, Chem. Phys., 1983, 76, 367-383. [all data]

Hess, B.A.; Chandra, P.; Buenker, R.J., Ab initio MRD CI calculation of the zero-field splitting of the 2Π ground state of the CBr molecule, Chem. Phys. Lett., 1985, 119, 403-406. [all data]

Hess, B.A.; Buenker, R.J., Ab initio MRD CI potential curves, dipole moments and zero-field splittings for the X2Π ground states of the CF and CCl molecules, Chem. Phys., 1986, 101, 211-218. [all data]

Hess, B.A.; Chandra, P., Relativistic ab initio Cl study of the X1Σ+ and A1Σ+ states of the AgH molecule, Phys. Scr., 1987, 36, 412-415. [all data]

Carnell, M.; Peyerimhoff, S.D.; Hess, B.A., Ab initio MRD CI calculations on the cesium hydride (CsH) molecule, Z. Phys. D: At. Mol. Clusters, 1989, 13, 317-333. [all data]

Jansen, G.; Hess, B.A., Relativistic all electron configuration interaction calculation of ground and excited states of the gold hydride molecule, Z. Phys. D: At. Mol. Clusters, 1989, 13, 363-375. [all data]

Banichevich, A.; Peyerimhoff, S.D.; Hess, B.A.; van Hemert, M.C., Potential curves and predissociation rates for the heavy species HBr2+ and DBr2+, Chem. Phys., 1991, 154, 199-209. [all data]

Carsky, P.; Spirko, V.; Hess, B.A.; Schaad, L.J., Variational calculations on the Ag vibrational states, the automerization, and the predicted Raman spectrum of cyclobutadiene, J. Chem. Phys., 1990, 92, 6069-76. [all data]

Polavarapu, P.L.; Hess, B.A.; Schaad, L.J., Vibrational Spectra of Epoxypropane Tetrafluoromethane, J. Chem. Phys., 1985, 82, 1705. [all data]

Hess, B.A.; Schaad, L.J.; Polavarapu, P.L., Ab initio theoretical frequencies and intensities in the interpretation of infrared spectra, J. Am. Chem. Soc., 1984, 106, 4348-4352. [all data]

Hess, B.A.; Carsky, P.; Schaad, L.J., J. Am. Chem. Soc., 1983, 105, 695. [all data]

Hess, B.A.; Schaad, L.J.; Carsky, P., Pure Appl. Chem., 1983, 55, 253. [all data]

Carsky, P.; Hess, B.A.; Schaad, L.J., Ab initio study of the structures and vibrational spectra of the Huckel 4n heterocycles azirine, oxirene and thiirene, J. Am. Chem. Soc., 1983, 105, 396-402. [all data]

Schaad, L.J.; Hess, B.A.; Ewig, C.S., J. Org. Chem., 1982, 47, 2904. [all data]

Schaad, L.J.; Hess, B.A.; Zahradnik, R., J. Org. Chem., 1981, 46, 1909. [all data]

Schaad, L.J.; Hess, B.A.; Ewig, C.S., J. Am. Chem. Soc., 1979, 101, 2281. [all data]

Allen, W.D.; Bertie, J.E.; Falk, M.V.; Hess, B.A., Jr.; Mast, G.B.; Othen, D.A.; Schaad, L.J.; Schaefer, H.F., III, The experimental vibrational spectra, vibrational assignment, and normal coordinate analysis of thiirane-h4 and -d4 and cis- and trans-1,2-dideuteriothiirane: Ab initio theoretical IR spectra of thiirane, thiirene, and isotopically substituted derivatives, J. Chem. Phys., 1986, 84, 8, 4211, https://doi.org/10.1063/1.450043 . [all data]

Maier, G.; Flogel, U.; Reisenauer, H.P.; Hess, B.A., Jr.; Schaad, L.J., Photoisomerisierung von Halogendimethylsulfiden, Chem. Ber., 1991, 124, 11, 2603, https://doi.org/10.1002/cber.19911241133 . [all data]

Maier, G.; Flogel, U.; Reisenauer, H.P.; Hess, B.A., Jr.; Schaad, L.J., HCl-Abspaltung aus Ethansulfenylchlorid und Chlordimethylsulfid, Chem. Ber., 1991, 124, 11, 2609, https://doi.org/10.1002/cber.19911241134 . [all data]

Maier, G.; Jurgen, D.; Tross, R.; Reisenauer, H.P.; Hess, B.A., Jr.; Schaad, L.J., Detection of trimethylenemethane by IR spectroscopy:result of the photoisomerization of methylenecyclopropane in a halogen-doped xenon matrix, Chem. Phys., 1994, 189, 2, 383, https://doi.org/10.1016/0301-0104(94)00266-5 . [all data]

Maier, G.; Preiss, T.; Reisenauer, H.P.; Hess, B.A., Jr.; Schaad, L.J., Small Rings. Part 81. Chlorinated Cyclopropenylidenes, Vinylidenecarbenes, and Propargylenes: Identification by Matrix Isolation Spectroscopy, J. Am. Chem. Soc., 1994, 116, 5, 2014, https://doi.org/10.1021/ja00084a047 . [all data]

Maier, G.; Reisenauer, H.P.; Hu, J.; Hess, B.A., Jr.; Schaad, L.J., Photoisomerisierung von tetrachlormethan in einer argon-matrix, Tetrahed. Lett., 1989, 30, 31, 4105, https://doi.org/10.1016/S0040-4039(00)99333-X . [all data]

Maier, G.; Reisenauer, H.P.; Hu, J.; Schaad, L.J.; Hess, B.A., Jr., Photochemical isomerization of dihalomethanes in argon matrixes, J. Am. Chem. Soc., 1990, 112, 13, 5117, https://doi.org/10.1021/ja00169a020 . [all data]

Maier, G.; Reisenauer, H.P.; Lanz, K.; Tross, R.; Jurgen, D.; Hess, B.A., Jr.; Schaad, L.J., Angew. Chem. 105, 119. [all data]

Maier, G.; Reisenauer, H.P.; Schwab, W.; Carsky, P.; Hess, B.A., Jr.; Schaad, L.J., Vinylidene carbene: a new C3H2 species, J. Am. Chem. Soc., 1987, 109, 17, 5183, https://doi.org/10.1021/ja00251a023 . [all data]

Maier, G.; Reisenauer, H.P.; Schwab, W.; Carsky, P.; Spirko, V.; Hess, B.A., Jr.; Schaad, L.J., Propargylene: A C3H2 isomer with unusual bonding, J. Chem. Phys., 1989, 91, 8, 4763, https://doi.org/10.1063/1.456765 . [all data]

Maier, G.; Schmidt, C.; Reisenauer, H.P.; Endlein, E.; Becker, D.; Eckwert, J.; Hess, B.A., Jr.; Schaad, L.J., Blausäure-N-methylid: Darstellung, spektroskopische Eigenschaften und seine Beziehung zu anderen C2H3N-Isomeren, Chem. Ber., 1993, 126, 10, 2337, https://doi.org/10.1002/cber.19931261024 . [all data]

Maier, G.; Teles, J.H.; Hess, B.A., Jr.; Schaad, L.J., Carboxim (Isoknallsäure), Angew. Chem., 1988, 100, 7, 1014, https://doi.org/10.1002/ange.19881000744 . [all data]

Radziszewski, J.G.; Hess, B.A., Jr.; Zahradnik, R., Infrared spectrum of o-benzyne: experiment and theory, J. Am. Chem. Soc., 1992, 114, 1, 52, https://doi.org/10.1021/ja00027a007 . [all data]

Teles, J.H.; Maier, G.; Hess, B.A., Jr.; Schaad, L.J., Infrared Spectra and Photochemistry of Isodiazene and Its Deuterated Isotopomers, Chem. Ber., 1989, 122, 4, 749, https://doi.org/10.1002/cber.19891220424 . [all data]

Teles, J.H.; Maier, G.; Hess, B.A., Jr.; Schaad, L.J.; Winnewisser, M.; Winnewisser, B.P., The CHNO Isomers, Chem. Ber., 1989, 122, 4, 753, https://doi.org/10.1002/cber.19891220425 . [all data]