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Schaefer, H.

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63 matching references were found.

Schulz, G.; Schaefer, H., Ber. Bunsen-Ges. Phys. Chem., 1966, 70, 21. [all data]

Mislow, K.; O'Brien, R.E.; Schaefer, H., Stereochemistry of (+)-(s)-2-propanol-1-d(3) partial asymmetric reduction of 4',1"-dimethyl-1,2,3,4-dibenzcyclohepta-1,3-diene-6-one, J. Am. Chem. Soc., 1962, 84, 1940-4. [all data]

Horner, L.; Schaefer, H.; Ludwig, W., Ozonization of Tertiary AMines (Phosphines and Arsones), Thioethers, and Disulfides, Chem. Ber., 1958, 91, 75-81. [all data]

Decker, B.K.; Adams, N.G.; Babcock, L.M.; Crawford, T.D.; Schaefer, H.F., Thermokinetic proton transfer and ab initio studies of the [2H,S,O]+ system. The proton affinity of HSO, J. Phys. Chem. A, 2000, 104, 4636. [all data]

Gu, J.D.; Chen, K.X.; Xie, Y.M.; Schaefer, H.F.; Morris, R.A.; Viggiano, A.A., The electron affinities of PF and PF2, J. Chem. Phys., 1998, 108, 3, 1050-1054, https://doi.org/10.1063/1.475466 . [all data]

Nielsen, I.M.B.; Janssen, C.L.; Burton, N.A.; Schaefer, H.F., J. Phys. Chem., 1992, 96, 2490-4. [all data]

Ma, B.; Xie, Y.; Schaefer, H.F., Tetraethynylethylene, a molecule with four very short C-C single bonds. Interpretation of the infrared spectrum, Chem. Phys. Lett., 1992, 191, 521-6. [all data]

Gallo, M.M.; Schaefer, H.F., The infrared spectrum of difluorovinylidene, F2C:C:, J. Chem. Phys., 1990, 93, 865-6. [all data]

Gallo, M.M.; Hamilton, T.P.; Schaefer, H.F., J. Am. Chem. Soc., 1990, 112, 8714-9. [all data]

Blahous, C.P.; Xie, Y.; Schaefer, H.F., The infrared spectrum of trimethylenemethane. Predictions of in-plane vibrational frequencies from correlated wave functions, J. Chem. Phys., 1990, 92, 1174. [all data]

Breidung, J.; Schneider, W.; Thiel, W.; Schaefer, H.F., The anharmonic force fields of phosphine, difluorophosphine, trifluorophosphine, phosphorane, and phosphine oxide, J. Mol. Spectrosc., 1990, 140, 226. [all data]

Allen, W.D.; Yamaguchi, Y.; Csaszar, A.G.; Clabo, D.A.; Remington, R.B.; Schaefer, H.F., A systematic study of molecular vibrational anharmonicity and vibration- rotation interaction by self-consistent-field higher-derivative methods. Linear polyatomic molecules, Chem. Phys., 1990, 145, 427-66. [all data]

Scheiner, A.C.; Schaefer, H.F.; Liu, B., The -X1A1 and -a3B2 states of o-benzyne: a theoretical characterization of equilibrium geometries, harmonic vibrational frequencies, and the singlet-triplet energy gap, J. Am. Chem. Soc., 1989, 111, 3118. [all data]

Scuseria, G.; Schaefer, H.F., J. Am. Chem. Soc., 1989, 111, 7761-5. [all data]

Simandiras, E.D.; Amos, R.D.; Handy, N.C.; Lee, T.J.; Rice, J.E.; Remington, R.B.; Schaefer, H.F., Second-order peturbation theory and configuration interraction theory appli ed to medium-sized molecules: cyclopropane, ethylenimine, ethylene oxide, fluoroethane, and acetaldehyde, J. Am. Chem. Soc., 1988, 110, 1388-1393. [all data]

Blahous, C.P.; Schaefer, H.F., Geometrical structure and vibrational frequencies for the Oxygen analogue of Hexasulfur, J. Phys. Chem., 1988, 92, 959. [all data]

Scuseria, G.E.; Duran, M.; Maclagan, R.G.A.R.; Schaefer, H.F., J. Am. Chem. Soc., 1986, 108, 3248. [all data]

Remington, R.B.; Lee, T.J.; Schaefer, H.F., [5]Paracyclophane: molecular structure and implications for aromaticity, Chem. Phys. Lett., 1986, 124, 199. [all data]

Binkley, J.S.; Frisch, M.J.; Schaefer, H.F., Vibrational Frequencies and Infrared Intensities for Malonaldehyde: A Post-Hartree-Fock Theoretical Study, Chem. Phys. Lett., 1986, 126, 1. [all data]

Frisch, M.J.; Scheiner, A.C.; Schaefer, H.F.; Binkley, J.S., J. Chem. Phys., 1985, 82, 4194-8. [all data]

Carrington, J.; Hubbard, L.M.; Schaefer, H.F.; Miller, W.J., J. Chem. Phys., 1984, 80, 4347-54. [all data]

Breulet, J.; Lee, T.J.; Schaefer, H.F., J. Am. Chem. Soc., 1984, 106, 6250. [all data]

Bicerano, J.; Schaefer, H.F.; Miller, W.H., J. Am. Chem. Soc., 1983, 105, 2550-3. [all data]

Osamura, Y.; Schaefer, H.F., J. Chem. Phys., 1981, 74, 4576-80. [all data]

Osamura, Y.; Schaefer, H.F., Chem. Phys. Lett., 1981, 79, 412-5. [all data]

Yamaguchi, Y.; Schaefer, H.F., J. Chem. Phys., 1980, 73, 2310. [all data]

Dykstra, C.E.; Schaefer, H.F., J. Am. Chem. Soc., 1978, 100, 1378-82. [all data]

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

Dykstra, C.E.; Schaefer, H.F., J. Am. Chem. Soc., 1975, 97, 7210-5. [all data]

Pearson, P.K.; Schaefer, H.F., III; Richardson, J.H.; Stephenson, L.M.; Brauman, J.I., Three isomers of the NO₂- ion, J. Am. Chem. Soc., 1974, 96, 6778. [all data]

Seidl, E.T.; Schaefer, H.F., III, Theoretical investigation of the dimerization of ketene: Does the 2S + 2A cycloaddition reaction exist?, J. Am. Chem. Soc., 1991, 113, 5195-5200. [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]

Galbraith, J.M.; Vacek, G.; Schaefer, H.F., III, ClF2: Structure and infrared spectra of a weakly bound triatomic molecule, J. Chem. Phys., 1993, 98, 10, 8051, https://doi.org/10.1063/1.464560 . [all data]

Lugez, C.L.; Jacox, M.E.; King, R.A.; Schaefer, H.F., III, Experimental and ab initio study of the infrared spectra of ionic species derived from SF[sub 6] and SF[sub 4] and trapped in solid neon, J. Chem. Phys., 1998, 108, 23, 9639, https://doi.org/10.1063/1.476440 . [all data]

Morrison, A.M.; Agarwal, J.; Schaefer, H.F., III; Douberly, G.E., Infrared Laser Spectroscopy of the CH, J. Phys. Chem. A, 2012, 116, 22, 5299, https://doi.org/10.1021/jp3026368 . [all data]

O'Sullivan, P.J.; Hamilton, P.A.; Davies, P.B.; Turney, J.M.; Schaefer, H.F., III, Diode laser spectroscopy of the ν2 fundamental band of cis-HOPO, J. Mol. Spectrosc., 2006, 235, 2, 248, https://doi.org/10.1016/j.jms.2005.11.013 . [all data]

Souter, P.F.; Andrews, L.; Downs, A.J.; Greene, T.M.; Ma, B.; Schaefer, H.F., III, Observed and calculated Raman spectra of the Ga2H6 and Ga2D6 molecules, J. Phys. Chem., 1994, 98, 49, 12824, https://doi.org/10.1021/j100100a004 . [all data]

Stephens, J.C.; Bolton, E.E.; Schaefer, H.F., III; Andrews, L., Quantum mechanical frequencies and matrix assignments to Al[sub 2]H[sub 2], J. Chem. Phys., 1997, 107, 1, 119, https://doi.org/10.1063/1.474608 . [all data]

Simon, J.G.G.; Schweig, A.; Xie, Y.; Schaefer, H.F., III, The UV/VIS and IR absorption spectra of benzocyclopropenone in solid argon at 12 K, Chem. Phys. Lett., 1992, 200, 6, 631, https://doi.org/10.1016/0009-2614(92)80101-G . [all data]

Miller, W.H.; Schaefer, H.F., III, Theoretical treatment of Penning ionization - He(1s₂s ¹S, ³S) + H(1s ²S), J. Chem. Phys., 1970, 53, 1421. [all data]

Schaefer, H.F., III; McLaughlin, D.R.; Harris, F.E.; Alder, B.J., Calculation of the attractive He pair potential, Phys. Rev. Lett., 1970, 25, 988. [all data]

Heil, T.G.; Schaefer, H.F., III, Four new bound, low-lying states of cyanogen: ⁴Σ⁺, ⁴Σ^-, ⁴Π, ⁴Δ, Astrophys. J., 1971, 163, 425. [all data]

Liu, B.; Schaefer, H.F., III, Krypton monofluoride and its positive ion, J. Chem. Phys., 1971, 55, 2369. [all data]

McLaughlin, D.R.; Schaefer, H.F., III, Interatomic correlation energy and the van der Waals attraction between two helium atoms, Chem. Phys. Lett., 1971, 12, 244. [all data]

O'Neil, S.V.; Pearson, P.K.; Schaefer, H.F., III, Repulsive ³Σ^- and low-lying (≥1.9 eV) ³Σ⁺ states of BeO, Chem. Phys. Lett., 1971, 10, 404. [all data]

O'Neil, S.V.; Schaefer, H.F., III, Configuration interaction study of the X³Σ^-, a¹Δ, and b¹Σ⁺ states of NH, J. Chem. Phys., 1971, 55, 394. [all data]

Pearson, P.K.; Bender, C.F.; Schaefer, H.F., III, Theoretical description of molecular Rydberg states: B¹Σ⁺ and lowest ³Σ⁺ states of BH, J. Chem. Phys., 1971, 55, 5235. [all data]

Schaefer, H.F., III, Electron correlation in the lowest ¹Σ⁺ state of beryllium oxide, J. Chem. Phys., 1971, 55, 176. [all data]

Schaefer, H.F., III; Heil, T.G., Electronic structures and potential energy curves for the low-lying states of CN radical, J. Chem. Phys., 1971, 54, 2573. [all data]

Schaefer, H.F., III; Miller, W.H., Curve crossing of the B³Σ_u^- and ³Π_u states of O₂ and its relation to predissociation in the Schumann-Runge bands, J. Chem. Phys., 1971, 55, 4107. [all data]

Bondybey, V.; Pearson, P.K.; Schaefer, H.F., III, Theoretical potential energy curves for OH, HF⁺, HF, HF^-, NeH⁺, and NeH, J. Chem. Phys., 1972, 57, 1123. [all data]

Heil, T.G.; Schaefer, H.F., III, Potential curves for the valence-excited states of silicon monoxide. A theoretical study, J. Chem. Phys., 1972, 56, 958. [all data]

Pearson, P.K.; O'Neil, S.V.; Schaefer, H.F., III, Role of electron correlation in a priori predictions of the electronic ground state of BeO, J. Chem. Phys., 1972, 56, 3938. [all data]

Bagus, P.S.; Schaefer, H.F., III, ⁷Σ⁺ and ⁷Π states of manganese hydride, J. Chem. Phys., 1973, 58, 1844. [all data]

Liskow, D.H.; Schaefer, H.F., III; Bagus, P.S.; Liu, B., Probable nonexistence of xenon monofluoride as a chemically bound species in the gas phase, J. Am. Chem. Soc., 1973, 95, 4056. [all data]

Ungemach, S.R.; Schaefer, H.F., III; Liu, B., Theoretical dipole moment function of the X¹Σ⁺ state of HI, J. Mol. Spectrosc., 1977, 66, 99-105. [all data]

Bender, C.F.; Rescigno, T.N.; Schaefer, H.F., III; Orel, A.E., Potential energy curves for diatomic zinc and cadmium, J. Chem. Phys., 1979, 71, 1122-1127. [all data]

Swope, W.C.; Lee, Y.-P.; Schaefer, H.F., III, Sulfur oxide: low-lying bound molecular electronic states of SO, J. Chem. Phys., 1979, 71, 3761-3769. [all data]

Swope, W.C.; Lee, Y.-P.; Schaefer, H.F., III, Diatomic sulfur: low lying bound molecular electronic states of S₂, J. Chem. Phys., 1979, 70, 947-953. [all data]

Lee, T.J.; Schaefer, H.F., III, Systematic study of molecular anions within the self-consistent-field approximation: OH^-, CN^-, C₂H^-, NH₂^-, and CH₃^-, J. Chem. Phys., 1985, 83, 1784-1794. [all data]

Scuseria, G.E.; Schaefer, H.F., III, Vibrational frequencies and geometries for the open HF trimer, Chem. Phys., 1986, 107, 33-38. [all data]

Scuseria, G.E.; Schaefer, H.F., III, Diatomic chromium (Cr₂): application of the coupled cluster method including all single and double excitation (CCSD), Chem. Phys. Lett., 1990, 174, 501-503. [all data]

Dykstra, C.E.; Pearson, P.K.; Schaefer, H.F., III, Electronic structure of nitrenes. LiN, the simplest ionic species, J. Am. Chem. Soc., 1975, 97, 9, 2321-2325. [all data]