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The Journal of Chemical Physics
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May 27, 2008
The accuracy of rotational constants predicted by high-level quantum-chemical calculations. I. molecules containing first-row atoms
Cristina Puzzarini, Miriam Heckert, Jürgen Gauss
The Journal of Physical Chemistry. A
|
May 22, 2007
Basis set limit CCSD(T) harmonic vibrational frequencies
David 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 states
Miriam 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 theory
Miriam Heckert, Mihály Kállay, David P Tew, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 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 atoms
Cristina Puzzarini, Miriam Heckert, Jürgen Gauss
The Journal of Physical Chemistry. A
|
May 22, 2007
Basis set limit CCSD(T) harmonic vibrational frequencies
David 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 states
Miriam 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 theory
Miriam Heckert, Mihály Kállay, David P Tew, et al.
Page
of 1