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Miriam Heckert

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The Journal of Chemical Physics|May 27, 2008
The accuracy of rotational constants predicted by high-level quantum-chemical calculations. I. molecules containing first-row atomsCristina Puzzarini, Miriam Heckert, Jürgen Gauss
The Journal of Physical Chemistry. A|May 22, 2007
Basis set limit CCSD(T) harmonic vibrational frequenciesDavid P Tew, Wim Klopper, Miriam Heckert, et al.
The Journal of Chemical Physics|April 8, 2006
Towards a spin-adapted coupled-cluster theory for high-spin open-shell statesMiriam Heckert, Oliver Heun, Jürgen Gauss, et al.
The Journal of Chemical Physics|September 1, 2006
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theoryMiriam Heckert, Mihály Kállay, David P Tew, et al.
Pageof 1

Showing results (1-10 of 4) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|May 27, 2008
The accuracy of rotational constants predicted by high-level quantum-chemical calculations. I. molecules containing first-row atomsCristina Puzzarini, Miriam Heckert, Jürgen Gauss
The Journal of Physical Chemistry. A|May 22, 2007
Basis set limit CCSD(T) harmonic vibrational frequenciesDavid P Tew, Wim Klopper, Miriam Heckert, et al.
The Journal of Chemical Physics|April 8, 2006
Towards a spin-adapted coupled-cluster theory for high-spin open-shell statesMiriam Heckert, Oliver Heun, Jürgen Gauss, et al.
The Journal of Chemical Physics|September 1, 2006
Basis-set extrapolation techniques for the accurate calculation of molecular equilibrium geometries using coupled-cluster theoryMiriam Heckert, Mihály Kállay, David P Tew, et al.
Pageof 1