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Author:Bauschlicher

119 matching references were found.

Gutsev, G.L.; Bauschlicher, C.W.; Zhai, H.J.; Wang, L.S., Structural and electronic properties of iron monoxide clusters FenO and FenO- (n=2-6): A combined photoelectron spectroscopy, J. Chem. Phys., 2003, 119, 21, 11135-11145, https://doi.org/10.1063/1.1621856 . [all data]

Zhai, H.J.; Wang, L.S.; Jena, P.; Gutsev, G.L.; Bauschlicher, C.W., Competition between linear and cyclic structures in monochromium carbide clusters CrCn- and CrCn (n=2-8): A photoelectron spe, J. Chem. Phys., 2004, 120, 19, 8996-9008, https://doi.org/10.1063/1.1701754 . [all data]

Bauschlicher, C.W.; Bouchard, F.; Hepburn, J.W.; McMahon, T.B.; Surjasasmita, I.; Roth, L.M.; Gord, J.R., On the Structure of Al(Acetone)2+, Int. J. Mass Spectrom. Ion Proc., 1991, 109, 15, https://doi.org/10.1016/0168-1176(91)85094-3 . [all data]

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

Ricca, A.; Bauschlicher, C.W., Jr., Accurate Heats of Formation for PHn, PHn+, and PHn-, Chem. Phys. Lett., 1998, 285, 5-6, 455, https://doi.org/10.1016/S0009-2614(97)01468-1 . [all data]

Andrews, L.; Chertihin, G.V.; Ricca, A.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules: Matrix Infrared Spectra and Density Functional Calculations of OFeO, FeOO, and Fe(O, J. Am. Chem. Soc., 1996, 118, 2, 467, https://doi.org/10.1021/ja953338f . [all data]

Andrews, L.; Chertihin, G.V.; Thompson, C.A.; Dillon, J.; Byrne, S.; Bauschlicher, C.W., Jr., Infrared Spectra and Quantum Chemical Calculations of Group 2 MO, J. Phys. Chem., 1996, 100, 24, 10088, https://doi.org/10.1021/jp953763v . [all data]

Andrews, L.; Zhou, M.; Chertihin, G.V.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Y and La Atoms, Cations and Electrons with O, J. Phys. Chem. A, 1999, 103, 33, 6525, https://doi.org/10.1021/jp991024z . [all data]

Andrews, L.; Zhou, M.; Wang, X.; Bauschlicher, C.W., Jr., Matrix Infrared Spectra and Density Functional Calculations of Manganese and Rhenium Carbonyl Neutral and Anion Complexes, J. Phys. Chem. A, 2000, 104, 39, 8887, https://doi.org/10.1021/jp001943l . [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]

Bauschlicher, C.W., Jr.; Zhou, M.; Andrews, L., A Study of the Products of the Reaction of Phosphorus and Dioxygen, J. Phys. Chem. A, 2000, 104, 16, 3566, https://doi.org/10.1021/jp993623b . [all data]

Chertihin, G.V.; Andrews, L.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Copper Atoms with Dioxygen. Infrared Spectra of the Copper Oxides CuO, OCuO, CuOCuO, and OCuOCuO and Superoxide CuOO in Solid Argon, J. Phys. Chem. A, 1997, 101, 22, 4026, https://doi.org/10.1021/jp9701653 . [all data]

Chertihin, G.V.; Andrews, L.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Scandium Atoms with Nitrogen: Matrix Infrared Spectra and DFT Calculations for Scandium Nitrides and the Fixation of Nitrogen by Two Scandium Atoms, J. Am. Chem. Soc., 1998, 120, 13, 3205, https://doi.org/10.1021/ja973701d . [all data]

Chertihin, G.V.; Andrews, L.; Rosi, M.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Scandium Atoms with Dioxygen. Infrared Spectra of ScO, OScO, (O, J. Phys. Chem. A, 1997, 101, 48, 9085, https://doi.org/10.1021/jp972482f . [all data]

Chertihin, G.V.; Citra, A.; Andrews, L.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Cobalt Atoms with O, J. Phys. Chem. A, 1997, 101, 47, 8793, https://doi.org/10.1021/jp972022m . [all data]

Chertihin, G.V.; Saffel, W.; Yustein, J.T.; Andrews, L.; Neurock, M.; Ricca, A.; Bauschlicher, C.W., Jr., Reactions of Laser-Ablated Iron Atoms with Oxygen Molecules in Condensing Argon. Infrared Spectra and Density Functional Calculations of Iron Oxide Product Molecules, J. Phys. Chem., 1996, 100, 13, 5261, https://doi.org/10.1021/jp953198w . [all data]

Gong, Y.; Andrews, L.; Bauschlicher, C.W., Jr., Formation of Metal Oxyfluorides from Specific Metal Reactions with Oxygen Difluoride: Infrared Spectroscopic and Theoretical Investigations of the OScF, Chem. Eur. J., 2012, 18, 39, 12446, https://doi.org/10.1002/chem.201201005 . [all data]

Gong, Y.; Andrews, L.; Bauschlicher, C.W., Jr., Reactions of Group 3 Metals with OF, J. Phys. Chem. A, 2012, 116, 41, 10115, https://doi.org/10.1021/jp3079315 . [all data]

Gong, Y.; Andrews, L.; Bauschlicher, C.W., Jr.; Thanthiriwatte, K.S.; Dixon, D.A., Infrared spectroscopic and theoretical studies of the OTiF2, OZrF2 and OHfF2 molecules with terminal oxo ligands, Dalton Trans., 2012, 41, 38, 11706, https://doi.org/10.1039/c2dt31223a . [all data]

Kushto, G.P.; Zhou, M.; Andrews, L.; Bauschlicher, C.W., Jr., An Infrared Spectroscopic and Density Functional Theoretical Investigation of the Reaction Products of Laser-Ablated Scandium and Titanium Atoms with Nitric Oxide, J. Phys. Chem. A, 1999, 103, 8, 1115, https://doi.org/10.1021/jp9838036 . [all data]

Zhai, H.-J.; Wang, L.-S.; Jena, P.; Gutsev, G.L.; Bauschlicher, C.W., Jr., Competition between linear and cyclic structures in monochromium carbide clusters CrC[sub n]-] and CrC[sub n] (n=2--8): A photoelectron spectroscopy and density functional study, J. Chem. Phys., 2004, 120, 19, 8996, https://doi.org/10.1063/1.1701754 . [all data]

Zhai, H.-J.; Wang, L.-S.; Jena, P.; Gutsev, G.L.; Bauschlicher, C.W., Jr., Competition between linear and cyclic structures in monochromium carbide clusters CrC[sub n]-] and CrC[sub n] (n=2--8): A photoelectron spectroscopy and density functional study, J. Chem. Phys., 2006, 120, 19, 8996, https://doi.org/10.1063/1.1701754 . [all data]

Bauschlicher, C.W., Jr.; Yarkony, D.R., Electronic structure of CaO. I, J. Chem. Phys., 1978, 68, 3990-3997. [all data]

Bauschlicher, C.W., Jr.; Lengsfield, B.H., III; Yarkony, D.R., On the low lying singlet states of BeO, J. Chem. Phys., 1980, 73, 5702-5705. [all data]

Bauschlicher, C.W., Jr.; Silver, D.M.; Yarkony, D.R., An SCF and MCSCF description of the low-lying states of MgO, J. Chem. Phys., 1980, 73, 2867-2870. [all data]

Bauschlicher, C.W., Jr.; Yarkony, D.R., MCSCF wave functions for excited states of polar molecules: application to BeO, J. Chem. Phys., 1980, 72, 1138-1144. [all data]

Bauschlicher, C.W., Jr.; Lengsfield, B.H., III; Silver, D.M.; Yarkony, D.R., On the low-lying states of MgO. II, J. Chem. Phys., 1981, 74, 2379-2383. [all data]

Bauschlicher, C.W., Jr.; Lengsfield, B.H., III; Bowen, L., The dissociation energy of MgO, J. Chem. Phys., 1982, 77, 4084-4087. [all data]

Bauschlicher, C.W., Jr.; Walch, S.P., On the d bond in ScH, J. Chem. Phys., 1982, 76, 4560-4563. [all data]

Bauschlicher, C.W., Jr.; Walch, S.P.; Siegbahn, P.E.M., On the nature of the bonding in Cu2, J. Chem. Phys., 1982, 76, 6015-6017. [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]

Walch, S.P.; Bauschlicher, C.W., Jr.; Siegbahn, P.E.M.; Partridge, H., All-electron GVB/CI potential curves for the X1«SIGMA»g+ state of Cs2, Chem. Phys. Lett., 1982, 92, 54-58. [all data]

Walch, S.P.; Bauschlicher, C.W., Jr., On incorporation of atomic correlation in transition-metal molecular calculations: NiH, Chem. Phys. Lett., 1982, 86, 66-70. [all data]

Bagus, P.S.; Nelin, C.J.; Bauschlicher, C.W., Jr., On the low-lying states of CuO, J. Chem. Phys., 1983, 79, 2975-2981. [all data]

Bauschlicher, C.W., Jr., The dissociation energy of Cu2; do we want to perform multi-reference singles and doubles CIs on many-electron systems?, Chem. Phys. Lett., 1983, 97, 204-208. [all data]

Bauschlicher, C.W., Jr., On the low-lying states of TiN, Chem. Phys. Lett., 1983, 100, 515-518. [all data]

Bauschlicher, C.W., Jr.; Bagus, P.S.; Nelin, C.J., On the nature of the low-lying states of TiO, Chem. Phys. Lett., 1983, 101, 229-234. [all data]

Bauschlicher, C.W., Jr.; Partridge, H., The dissociation energy of CaO, Chem. Phys. Lett., 1983, 94, 366-368. [all data]

Bauschlicher, C.W., Jr.; Walch, S.P.; Siegbahn, P.E.M., On the nature of the bonding in Cu2 - an ab initio viewpoint, J. Chem. Phys., 1983, 78, 3347-3348. [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]

Partridge, H.; Dixon, D.A.; Walch, S.P.; Bauschlicher, C.W., Jr.; Gole, J.L., Electron affinities of the alkali dimers: Na2, K2, and Rb2, J. Chem. Phys., 1983, 79, 1859-1865. [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]

Walch, S.P.; Bauschlicher, C.W., Jr., CAS SCF CI calculations for the 3«SIGMA»g-, 1«SIGMA»g+, 3«SIGMA»u+, and 5«DELTA»u states of Se2, Chem. Phys. Lett., 1983, 94, 290-295. [all data]

Walch, S.P.; Bauschlicher, C.W., Jr., Theoretical evidence for multiple one-electron 3d bonding in a first row transition metal dimer: the 5«SIGMA»u- state of Sc2, J. Chem. Phys., 1983, 79, 3590-3591. [all data]

Walch, S.P.; Bauschlicher, C.W., Jr., CASSCF/Cl calculations for first row transition metal hydrides: the TiH(4«PHI»), VH(5«DELTA»), CrH(6«SIGMA»+), MnH(7«SIGMA»+), FeH(4,6«DELTA»), and NiH(2«DELTA») states, J. Chem. Phys., 1983, 78, 4597-4605. [all data]

Bauschlicher, C.W., Jr.; Partridge, H., On the electron affinity of Be2, J. Chem. Phys., 1984, 80, 334-337. [all data]

Bauschlicher, C.W., Jr.; Siegbahn, P.E.M., On the low-lying states of TiC, Chem. Phys. Lett., 1984, 104, 331-335. [all data]

Bauschlicher, C.W., Jr., The effect of an external electric field on the vibrational frequency of CO, Chem. Phys. Lett., 1985, 118, 307-310. [all data]

Bauschlicher, C.W., Jr., On the similarity of the bonding in NiS and NiO, Chem. Phys., 1985, 93, 399-404. [all data]

Bauschlicher, C.W., Jr., The effect of bond functions on dissociation energies, Chem. Phys. Lett., 1985, 122, 572-576. [all data]

Bauschlicher, C.W., Jr.; Nelin, C.J.; Bagus, P.S., Transition metal oxides: CrO, MoO, NiO, PdO, AgO, J. Chem. Phys., 1985, 82, 3265-3276. [all data]

Nelin, C.J.; Bauschlicher, C.W., Jr., On the low-lying states of WO: a comparison with CrO and MoO, Chem. Phys. Lett., 1985, 118, 221-225. [all data]

Partridge, H.; Bauschlicher, C.W., Jr.; Stallcop, J.R., N2+ bound quartet and sextet state potential energy curves, J. Quant. Spectrosc. Radiat. Transfer, 1985, 33, 653-655. [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., On the uniqueness of the constrained space orbital variation (CSOV) technique, Chem. Phys., 1986, 106, 391-398. [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]

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]

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]

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., A full CI study of the 2«SIGMA»g+ state of H2-, J. Phys. B:, 1988, 21, 413-414. [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., On the bonding in Mn2+, Chem. Phys. Lett., 1989, 156, 95-99. [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.; Ceperley, D., The dissociation energy of He2+, Chem. Phys. Lett., 1989, 160, 183-188. [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]

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.; Partridge, H., An accurate determination of the hydroperoxyl radical (HO2) heat of formation, Chem. Phys. Lett., 1993, 208, 241-6. [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]

Bauschlicher, C.W.J.; Schaefer, H.F.; Bagus, P.S., J. Am. Chem. Soc., 1977, 99, 7106. [all data]