Search Results - Michauk, Christine

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  1. 1
    Accurate and efficient treatment of two-electron contributions in quasirelativistic high-order Douglas-Kroll density-functional calculations

    Accurate and efficient treatment of two-electron contributions in quasirelativistic high-order Douglas-Kroll density-functional calculations by van Wüllen, Christoph, Michauk, Christine

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  2. 2
    High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification

    High-accuracy extrapolated ab initio thermochemistry. II. Minor improvements to the protocol and a vital simplification by Bomble, Yannick J, Vázquez, Juana, Kállay, Mihály, Michauk, Christine, Szalay, Péter G, Császár, Attila G, Gauss, Jürgen, Stanton, John F

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  3. 3
    Perturbative treatment of scalar-relativistic effects in coupled-cluster calculations of equilibrium geometries and harmonic vibrational frequencies using analytic second-derivative techniques

    Perturbative treatment of scalar-relativistic effects in coupled-cluster calculations of equilibrium geometries and harmonic vibrational frequencies using analytic second-derivativ... by Michauk, Christine, Gauss, Jürgen

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  4. 4
    Rotational spectra of rare isotopic species of bromofluoromethane: determination of the equilibrium structure from ab initio calculations and microwave spectroscopy

    Rotational spectra of rare isotopic species of bromofluoromethane: determination of the equilibrium structure from ab initio calculations and microwave spectroscopy by Puzzarini, Cristina, Cazzoli, Gabriele, Baldacci, Agostino, Baldan, Alessandro, Michauk, Christine, Gauss, Jürgen

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  5. 5
    Accurate and efficient treatment of two-electron contributionsin quasirelativistic high-order Douglas-Kroll density-functional calculations

    Accurate and efficient treatment of two-electron contributionsin quasirelativistic high-order Douglas-Kroll density-functional calculations by van Wüllen, Christoph, Michauk, Christine

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  6. 6
    Rotational spectra of rare isotopic species of bromofluoromethane: Determination of the equilibrium structure from ab initio calculationsand microwave spectroscopy

    Rotational spectra of rare isotopic species of bromofluoromethane: Determination of the equilibrium structure from ab initio calculationsand microwave spectroscopy by Puzzarini, Cristina, Cazzoli, Gabriele, Baldacci, Agostino, Baldan, Alessandro, Michauk, Christine, Gauss, Jürgen

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  7. 7
    High-accuracy extrapolated ab initio thermochemistry. II.Minor improvements to the protocol and a vital simplification

    High-accuracy extrapolated ab initio thermochemistry. II.Minor improvements to the protocol and a vital simplification by Bomble, Yannick J., Vázquez, Juana, Kállay, Mihály, Michauk, Christine, Szalay, Péter G., Császár, Attila G., Gauss, Jürgen, Stanton, John F.

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