Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

NOTICE: Due to scheduled maintenance at our Gaithersburg campus, this site will not be available from 5:00 pm EDT (21:00 UTC) on Friday October 25 until 5:00 pm (21:00 UTC) on Sunday October 27. We apologize for any inconvenience this outage may cause.

Search Results

Search criteria:

Author:Langhoff, S.R.

You may also wish to search for items by Langhoff, S. and Langhoff.

90 matching references were found.

Bauschlicher, C.W., Jr.; Rosi, M.; Langhoff, S.R., The photoelectron spectroscopy of ZnCl2, Chem. Phys., 1990, 146, 237. [all data]

McKellar, A.R.W.; Bunker, P.R.; Sears, T.J.; Evenson, K.M.; Saykally, R.J.; Langhoff, S.R., Far infrared laser magnetic resonance of singlet methylene: Singlet--triplet perturbations, singlet--triplet transitions, and the singlet--triplet splittinga), J. Chem. Phys., 1983, 79, 11, 5251, https://doi.org/10.1063/1.445713 . [all data]

Arnold, J.O.; Whiting, E.E.; Langhoff, S.R., MCSCF+Cl wavefunctions and properties of the X2«PI» and A2«PI» states of ClO, J. Chem. Phys., 1977, 66, 4459-4467. [all data]

Langhoff, S.R.; Dix, J.P.; Arnold, J.O.; Nicholls, R.W.; Danylewych, L.L., Theoretical intensity parameters for the vibration-rotation bands of ClO, J. Chem. Phys., 1977, 67, 4306-4308. [all data]

Langhoff, S.R.; Sink, M.L.; Pritchard, R.H.; Kern, C.W.; Strickler, S.J.; Boyd, M.J., Ab initio study of perturbations between the X1«SIGMA»g+ and b3«SIGMA»g- states of the C2 molecule, J. Chem. Phys., 1977, 67, 1051-1060. [all data]

Langhoff, S.R.; Chong, D.P., Semirigorous bounds for the dipole moments and transition moments of the LiH molecule, J. Chem. Phys., 1978, 69, 194-199. [all data]

Langhoff, S.R.; Arnold, J.O., Theoretical study of the X1«SIGMA»+, A1«PI», C1«SIGMA»-, and E1«SIGMA»+ states of the SiO molecule, J. Chem. Phys., 1979, 70, 852-863. [all data]

Langhoff, S.R., Theoretical treatment of the spin-orbit coupling in the rare gas oxides NeO, ArO, KrO, and XeO, J. Chem. Phys., 1980, 73, 2379-2386. [all data]

Cooper, D.M.; Langhoff, S.R., A theoretical study of selected singlet and triplet states of the CO molecule, J. Chem. Phys., 1981, 74, 1200-1210. [all data]

Laskowski, B.C.; Langhoff, S.R.; Stallcop, J.R., Theoretical calculation of low-lying states of NaAr and NaXe, J. Chem. Phys., 1981, 75, 815-827. [all data]

Partridge, H.; Langhoff, S.R.; Stwalley, W.C.; Zemke, W.T., Theoretical study of the dipole moment function of the A1«SIGMA»+ state of LiH, J. Chem. Phys., 1981, 75, 2299-2305. [all data]

Partridge, H.; Langhoff, S.R., Theoretical treatment of the X1«SIGMA»+, A1«SIGMA»+, and B1«PI» states of LiH, J. Chem. Phys., 1981, 74, 2361-2371. [all data]

Langhoff, S.R.; Huo, W.M.; Partridge, H.; Bauschlicher, C.W., Jr., Theoretical study of the spin-orbit coupling constants of the c(2p)3«PI»u, d(3p)3«PI»u, k(4p)3«PI»u, i(3d)3«PI»g, r(4d)3«PI»g, j(3d)3«DELTA»g, and (4f)3«DELTA»u states of H2, J. Chem. Phys., 1982, 77, 2498-2513. [all data]

Langhoff, S.R.; Sink, M.L.; Pritchard, R.H.; Kern, C.W., Theoretical study of the spin-orbit coupling in the X2«PI» state of OH, J. Mol. Spectrosc., 1982, 96, 200-218. [all data]

Langhoff, S.R.; van Dishoeck, E.F.; Wetmore, R.; Dalgarno, A., Radiative lifetimes and dipole moments of the A2«SIGMA»+, B2«SIGMA»+, and C2«SIGMA»+ states of OH, J. Chem. Phys., 1982, 77, 1379-1390. [all data]

Laskowski, B.C.; Langhoff, S.R., Theoretical determination of the X1«SIGMA»g+ potential of Cs2 using relativistic effective core potentials, Chem. Phys. Lett., 1982, 92, 49-53. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Partridge, H., Theoretical study of the dipole moment of oxygen monofluoride (OF), Chem. Phys. Lett., 1983, 102, 292-298. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Chong, D.P., Theoretical study of the effects of vibrational-rotational interactions on the Raman spectrum of N2, J. Chem. Phys., 1983, 78, 5287-5292. [all data]

Laskowski, B.C.; Langhoff, S.R.; Siegbahn, P.E.M., Theoretical determination of the X2«SIGMA»+ and A2«PI» potentials of CsO using relativistic effective core potentials, Int. J. Quantum Chem., 1983, 23, 483-490. [all data]

Partridge, H.; Langhoff, S.R., Theoretical study of the AlO blue-green (B2«SIGMA»+-X2«SIGMA»+) band system, J. Quant. Spectrosc. Radiat. Transfer, 1983, 30, 449-462. [all data]

van Dishoeck, E.F.; Langhoff, S.R.; Dalgarno, A., The low-lying 2«SIGMA»- states of OH, J. Chem. Phys., 1983, 78, 4552-4561. [all data]

Hermann, M.R.; Langhoff, S.R.; Langhoff, P.W., Theoretical studies of photoionization in nitric oxide: multiplet-specific spectral shapes of (5«sigma»-1)b3«PI» and (5«sigma»-1)A1«PI» partial cross sections, Chem. Phys. Lett., 1984, 109, 150-155. [all data]

Langhoff, S.R.; Partridge, H., Theoretical study of the «LAMBDA»-doubling parameters for X2«PI» OH, J. Mol. Spectrosc., 1984, 105, 261-275. [all data]

Partridge, H.; Langhoff, S.R.; Bauschlicher, C.W., Jr., The dissociation energy of SrO, Chem. Phys. Lett., 1985, 121, 163-168. [all data]

Walch, S.P.; Bauschlicher, C.W., Jr.; Langhoff, S.R., Calculated electric dipole moment of NiH X2«DELTA», J. Chem. Phys., 1985, 83, 5351-5352. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Taylor, P.R.; Handy, N.C.; Knowles, P.J., Benchmark full configuration-interaction calculations on HF and NH2, J. Chem. Phys., 1986, 85, 1469-1474. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Theoretical studies of the low-lying states of ScO, ScS, VO, and VS, J. Chem. Phys., 1986, 85, 5936-5942. [all data]

Hermann, M.R.; Bauschlicher, C.W., Jr.; Huo, W.M.; Langhoff, S.R.; Langhoff, P.W., Theoretical studies of valence-shell photoexcitation and ionization cross sections in nitric oxide, Chem. Phys., 1986, 109, 1-23. [all data]

Hermann, M.R.; Langhoff, S.R.; Gil, T.J.; Langhoff, P.W., Theoretical studies of photoionization in nitric oxide: multiplet-specific effects in vibrationally resolved 5«sigma»-1 resonant channels, Chem. Phys. Lett., 1986, 125, 336-343. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical dissociation energies for the alkali and alkaline-earth monofluorides and monochlorides, J. Chem. Phys., 1986, 84, 1687-1695. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the X2«PI» and A2«SIGMA»+ states of CuO and CuS, Chem. Phys. Lett., 1986, 124, 241-247. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Partridge, H., Theoretical study of the diatomic alkali and alkaline-earth oxides, J. Chem. Phys., 1986, 84, 4474-4480. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Partridge, H.; Ahlrichs, R., Theoretical study of the dipole moments of selected alkaline-earth halides, J. Chem. Phys., 1986, 84, 5025-5031. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Partridge, H., Theoretical study of the X1«SIGMA»+ states of the alkali hydrides NaH-CsH, J. Chem. Phys., 1986, 85, 5158-5166. [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]

Partridge, H.; Langhoff, S.R.; Bauschlicher, C.W., Jr., Ab initio calculations on the positive ions of the alkaline-earth oxides, fluorides, and hydroxides, J. Chem. Phys., 1986, 84, 4489-4496. [all data]

Partridge, H.; Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the 7«SIGMA»u+ state of N2, J. Chem. Phys., 1986, 84, 6901-6906. [all data]

Pettersson, L.G.M.; Langhoff, S.R.; Chong, D.P., Theoretical study of the electric dipole moment function of the ClO molecule, J. Chem. Phys., 1986, 85, 2836-2844. [all data]

Pettersson, L.G.M.; Langhoff, S.R., Theoretical electric dipole moments and dissociation energies for the ground states of GaH-BrH, J. Chem. Phys., 1986, 85, 3130-3131. [all data]

Pettersson, L.G.M.; Langhoff, S.R., Theoretical electric dipole moments of SiH, GeH and SnH, Chem. Phys. Lett., 1986, 125, 429-432. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Ab initio calculations on C2, Si2, and SiC, J. Chem. Phys., 1987, 87, 2919-2924. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Theoretical determination of the radiative lifetime of the A2«SIGMA»+ state of OH, J. Chem. Phys., 1987, 87, 4665-4672. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Full Cl benchmark calculations on N2, NO, and O2: a comparison of methods for describing multiple bonds, J. Chem. Phys., 1987, 86, 5595-5599. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Partridge, H., Mixed Cu-simple metal dimers and trimers: CuLi, CuLi2, CuNa, CuK, CuBe, CuBe2, Cu2Be, CuAl, and CuAl2, J. Chem. Phys., 1987, 86, 5603-5612. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Theoretical D0 for NH(X3«SIGMA»-), Chem. Phys. Lett., 1987, 135, 67-72. [all data]

Bauschlicher, C.W., Jr.; Partridge, H.; Langhoff, S.R.; Taylor, P.R.; Walch, S.P., Accurate ab initio calculations which demonstrate a 3«PI»u ground state for Al2, J. Chem. Phys., 1987, 86, 7007-7012. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Partridge, H., Theoretical study of the N2+ Meinel system, J. Chem. Phys., 1987, 87, 4716-4721. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Taylor, P.R., Accurate ab initio calculations for the ground states of N2, O2 and F2, Chem. Phys. Lett., 1987, 135, 543-548. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Taylor, P.R., Theoretical study of the dipole moment function of OH(X2«PI»), J. Chem. Phys., 1987, 86, 6992-6999. [all data]

Langhoff, S.R.; Pettersson, L.G.M.; Bauschlicher, C.W., Jr.; Partridge, H., Theoretical spectroscopic parameters for the low-lying states of the second-row transition metal hydrides, J. Chem. Phys., 1987, 86, 268-278. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Taylor, P.R., Theoretical study of the electron affinities of Cu, Cu2, and Cu3, J. Chem. Phys., 1988, 88, 1041-1045. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Full configuration-interaction benchmark calculations for AlH, J. Chem. Phys., 1988, 89, 2116-2125. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Full configuration-interaction study of the ionic-neutral curve crossing in LiF, J. Chem. Phys., 1988, 89, 4246-4254. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Taylor, P.R., Theoretical study of the dissociation energy and the red and violet band systems of CN, Astrophys. J., 1988, 332, 531-538. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Pettersson, L.G.M., The computed spectrum of AlC, J. Chem. Phys., 1988, 89, 5747-5752. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical studies of the monoxides and monosulfides of Y, Zr, and Nb, J. Chem. Phys., 1988, 89, 2160-2169. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the first and second negative systems of N2+, J. Chem. Phys., 1988, 88, 329-336. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Partridge, H., Theoretical study of the NO «gamma» system, J. Chem. Phys., 1988, 89, 4909-4917. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Taylor, P.R., Theoretical studies of AlF, AlCl, and AlBr, J. Chem. Phys., 1988, 88, 5715-5725. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Pettersson, L.G.M., Theoretical spectrum of AlN, J. Chem. Phys., 1988, 89, 7354-7362. [all data]

Partridge, H.; Langhoff, S.R.; Bauschlicher, C.W., Jr.; Schwenke, D.W., Theoretical study of the A'5«SIGMA»g+ and C"5«PI»u states of N2: implications for the N2 afterglow, J. Chem. Phys., 1988, 88, 3174-3186. [all data]

Partridge, H.; Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the alkali and alkaline-earth monosulfides, J. Chem. Phys., 1988, 88, 6431-6437. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Partridge, H., Theoretical study of the structures and electron affinities of the dimers and trimers of the group IB metals (Cu, Ag, and Au), J. Chem. Phys., 1989, 91, 2412-2419. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Theoretical study of NiAr+, Chem. Phys. Lett., 1989, 158, 409-411. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R., Theoretical study of the far-infrared A3«SIGMA»g--X3«PI»u transition in Al2, J. Chem. Phys., 1989, 90, 4627-4628. [all data]

Bauschlicher, C.W., Jr.; Partridge, H.; Langhoff, S.R., Theoretical study of metal noble-gas positive ions, J. Chem. Phys., 1989, 91, 4733-4737. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Taylor, P.R., Theoretical study of the dipole moment function of OH(X2«PI»), J. Chem. Phys., 1989, 91, 5953-5959. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the dipole moment function of the X2«SIGMA»+ state of CN, Astrophys. J., 1989, 340, 620-623. [all data]

Rendell, A.P.; Bauschlicher, C.W., Jr.; Langhoff, S.R., A theoretical determination of the radiative lifetimes of the A2«SIGMA»+ and B2«DELTA» states of CF, Chem. Phys. Lett., 1989, 163, 354-358. [all data]

Steimle, T.C.; Nachman, D.F.; Shirley, J.E.; Bauschlicher, C.W., Jr.; Langhoff, S.R., The permanent electric dipole moment of chromium monoxide, J. Chem. Phys., 1989, 91, 2049-2053. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Taylor, P.R., On the dissociation energy of BH, J. Chem. Phys., 1990, 93, 502-506. [all data]

Bauschlicher, C.W., Jr.; Partridge, H.; Langhoff, S.R., An ab initio study of the low-lying doublet states of AgO and AgS, Chem. Phys., 1990, 148, 57-68. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the spectroscopy of Al2, J. Chem. Phys., 1990, 92, 1879-1886. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the spectroscopy of FeH, J. Mol. Spectrosc., 1990, 141, 243-257. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr.; Rendell, A.P.; Komornicki, A., Theoretical study of the radiative lifetime of the A1«PI»u state of C2, J. Chem. Phys., 1990, 92, 3000-3004. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the A3«SIGMA»--X3«PI» transition in SiC, J. Chem. Phys., 1990, 93, 42-44. [all data]

Partridge, H.; Bauschlicher, C.W., Jr.; Langhoff, S.R., Theoretical study of the positive ions of the dimers and trimers of the group IB metals (Cu, Ag, and Au), Chem. Phys. Lett., 1990, 175, 531-535. [all data]

Partridge, H.; Langhoff, S.R.; Bauschlicher, C.W., Jr., Radiative lifetimes for the X1«SIGMA»+ state of NO+, Chem. Phys. Lett., 1990, 170, 13-16. [all data]

Bauschlicher, C.W., Jr.; Partridge, H.; Langhoff, S.R.; Rosi, M., A theoretical study of low-lying states of Ti2 and Zr2, J. Chem. Phys., 1991, 95, 1057-1063. [all data]

Chong, D.P.; Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the hyperfine parameters of OH, J. Chem. Phys., 1991, 94, 3700-3706. [all data]

Langhoff, S.R.; Bauschlicher, C.W., Jr., Theoretical study of the spectroscopy of B2, J. Chem. Phys., 1991, 95, 5882-5888. [all data]

Langhoff, S.R.; Partridge, H.; Bauschlicher, C.W., Jr.; Komornicki, A., Theoretical study of the NO «beta» system, J. Chem. Phys., 1991, 94, 6638-6643. [all data]

Partridge, H.; Bauschlicher, C.W., Jr.; Langhoff, S.R.; Taylor, P.R., Theoretical study of the low-lying bound states of O2, J. Chem. Phys., 1991, 95, 8292-8300. [all data]

Rosi, M.; Bauschlicher, C.W., Jr.; Langhoff, S.R., Theoretical study of the spectroscopy of Al2+, Chem. Phys., 1991, 151, 1-9. [all data]

Zemke, W.T.; Stwalley, W.C.; Langhoff, S.R.; Valderrama, G.L.; Berry, M.J., Radiative transition probabilities for all vibrational levels in the X1«SIGMA»+ state of HF, J. Chem. Phys., 1991, 95, 7846-7853. [all data]

Bauschlicher, C.W., Jr.; Langhoff, S.R.; Partridge, H., Theoretical study of the BeLi, BeNa, MgLi, MgNa, and AlBe molecules and their negative ions, J. Chem. Phys., 1992, 96, 1240-1247. [all data]

Bauschlicher, C.W.J.; Langhoff, S.R.; Taylor, P.R., Recent advances in electronic structure theory and their influence on the accuracy of ab initio potential energy surfaces, NATO ASI Ser., Ser. C, 1989, 277, 1-21. [all data]

Bauschlicher, C.W.J.; Langhoff, S.R.; Taylor, P.R., Theoretical study of the dissociation energy and the red and violet band systems of cyanogen, NASA Tech. Memo. NASA-TM-101190 NAS1.15:101190, 28 pp., 1987. [all data]

Reimers, J.R.; Wilson, K.R.; Heller, E.J.; Langhoff, S.R., J. Chem. Phys., 1985, 82, 5064. [all data]

Jaffe, R.L.; Langhoff, S.R., J. Chem. Phys., 1978, 68, 1638. [all data]