Molecular orbital predictions of the vibrational frequencies of some molecular ions von Defrees, D. J., Mclean, A. D.

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Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements von Pietro, W. J, Francl, M. M, Hehre, W. J, DeFrees, D. J, Pople, J. A, Binkley, J. S

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The sensitivity of gas-phase models of dense interstellar clouds to changes in dissociative recombination branching ratios von Millar, T. J., Defrees, D. J., Mclean, A. D., Herbst, E.

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Theoretical IR spectra of ionized naphthalene von Pauzat, F, Talbi, D, Miller, M. D, DeFrees, D. J, Ellinger, Y

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Ab initio determination of the proton affinities of small neutral and anionic molecules von Defrees, D. J., McLean, A. D.

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Structure of the 2-norbornyl cation von Koch, Wolfram, Liu, Bowen, DeFrees, Douglas J

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The C4H7+ cation. A theoretical investigation von Koch, Wolfram, Liu, Bowen, DeFrees, Douglas J

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Calculations of H2O microwave line broadening in collisions with He atoms - Sensitivity to potential energy surfaces von Green, Sheldon, Defrees, D. J., Mclean, A. D.

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Ion-molecule calculation of the abundance ratio of CCD to CCH in dense interstellar clouds von Herbst, Eric, Adams, Nigel G., Smith, David, Defrees, D. J.

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Collisional excitation of interstellar water von Palma, Amedeo, Green, Sheldon, Defrees, D. J., Mclean, A. D.

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A detailed investigation of proposed gas-phase syntheses of ammonia in dense interstellar clouds von Herbst, Eric, Defrees, D. J., Mclean, A. D.

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Intermolecular potential for thermal H2O-He collisions von Palma, Amedeo, Green, Sheldon, Defrees, D. J., Mclean, A. D.

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Can interstellar H2S be formed via gas-phase reactions? Calculations concerning the rates of the ternary and radiative association reactions between HS+ and H2 von Herbst, Eric, DeFrees, D. J., Koch, W.

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Calculations concerning the HCO(+)/HOC(+) abundance ratio in dense interstellar clouds von Defrees, D. J., Mclean, A. D., Herbst, E.

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Theoretical investigation of the interstellar CH3NC/CH3CN ratio von Defrees, D. J., Mclean, A. D., Herbst, E.

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Ab initio determination of mode coupling in HSSH - The torsional splitting in the first excited S-S stretching state von Herbst, Eric, Winnewisser, G., Yamada, K. M. T., Defrees, D. J., Mclean, A. D.

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A reanalysis of the HCO(+)/HOC(+) abundance ratio in dense interstellar clouds von Jarrold, M. F., Bowers, M. T., Defrees, D. J., Mclean, A. D., Herbst, E.

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Calculations concerning the reaction C + H3(+) - CH(+) + H2 von Talbi, D., Defrees, D. J., Egolf, D. A., Herbst, Eric

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The quantum mechanical calculation of rotational spectra: A comparison of methods for C2H2, HCN, HNC, HCO(+), N2H(+), CO, and N2 - Predictions for HCNH(+), COH(+), HBO, HBNH, and H... von Defrees, D. J., Binkley, J. S., Mclean, A. D.

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A priori predictions of the rotational constants for HC13N, HC15N, and C5O von DEFREES, D. J, MCLEAN, A. D

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