Search Results - Ochterski, J. W.

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  1. 1
    A complete basis set model chemistry. VII. Use of the minimum population localization method

    A complete basis set model chemistry. VII. Use of the minimum population localization method by Montgomery, J. A., Frisch, M. J., Ochterski, J. W., Petersson, G. A.

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  2. 2
    A complete basis set model chemistry. VI. Use of density functional geometries and frequencies

    A complete basis set model chemistry. VI. Use of density functional geometries and frequencies by Montgomery, J. A., Frisch, M. J., Ochterski, J. W., Petersson, G. A.

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  3. 3
    A complete basis set model chemistry. IV. An improved atomic pair natural orbital method

    A complete basis set model chemistry. IV. An improved atomic pair natural orbital method by Montgomery, J. A., Ochterski, J. W., Petersson, G. A.

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  4. 4
    Comment on “Assessment of complete basis set methods for calculation of enthalpies of formation” [J. Chem. Phys. 108 , 692 (1998)]

    Comment on “Assessment of complete basis set methods for calculation of enthalpies of formation” [J. Chem. Phys. 108 , 692 (1998)] by Montgomery, J. A., Frisch, M. J., Ochterski, J. W., Petersson, G. A., Raghavachari, K., Zakrzewski, V. G.

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  5. 5
    Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry

    Calibration and comparison of the Gaussian-2, complete basis set, and density functional methods for computational thermochemistry by Petersson, G. A., Malick, David K., Wilson, William G., Ochterski, Joseph W., Montgomery, J. A., Frisch, M. J.

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  6. 6
    A Comparison of Model Chemistries

    A Comparison of Model Chemistries by Ochterski, Joseph W, Petersson, George A, Wiberg, Kenneth B

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  7. 7
    Comparison of different ab initio theoretical models for calculating isodesmic reaction energies for small ring and related compounds

    Comparison of different ab initio theoretical models for calculating isodesmic reaction energies for small ring and related compounds by Wiberg, Kenneth B., Ochterski, Joseph W.

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  8. 8
    Substituent Effects. 6. Heterosubstituted Allyl Radicals. Comparison with Substituted Allyl Cations and Anions

    Substituent Effects. 6. Heterosubstituted Allyl Radicals. Comparison with Substituted Allyl Cations and Anions by Wiberg, Kenneth B, Cheeseman, James R, Ochterski, Joseph W, Frisch, Michael J

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  9. 9
    A complete basis set model chemistry. V. Extensions to six or more heavy atoms

    A complete basis set model chemistry. V. Extensions to six or more heavy atoms by Ochterski, Joseph W., Petersson, G. A., Montgomery, J. A.

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  10. 10
    Strategies and tactics for optimizing the Hit-to-Lead process and beyond—A computational chemistry perspective

    Strategies and tactics for optimizing the Hit-to-Lead process and beyond—A computational chemistry perspective by Manly, Charles J., Chandrasekhar, Jayaraman, Ochterski, Joseph W., Hammer, Jack D., Warfield, Benjamin B.

    Published in Drug discovery today
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  11. 11
    Conformational Studies in the Cyclohexane Series. 2. Phenylcyclohexane and 1-Methyl-1-phenylcyclohexane

    Conformational Studies in the Cyclohexane Series. 2. Phenylcyclohexane and 1-Methyl-1-phenylcyclohexane by Wiberg, Kenneth B, Castejon, Henry, Bailey, William F, Ochterski, Joseph

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