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Quantitative prediction of gas-phase 13C nuclear magnetic shielding constants; 23 [Score: 100%]
Author / Editor: Auer, Alexander Adalbert; Gauß, Jürgen; Stanton, John F. |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2003 | 11 s.
Journal / Series / Collection: The journal of chemical physics; 118
Subject Area: Physik; Chemie und Pharmazie
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A spectroscopy oriented configuration interaction procedure; 18 [Score: 100%]
Author / Editor: Neese, Frank |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2003 | 16 s.
Journal / Series / Collection: The journal of chemical physics; 119
Subject Area: Physik
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Intramolecular vibrational energy redistribution, mode specificity, and nonexponential unimolecular decay dynamics of vibrationally highly excited states of DCO (X2A'); 2 [Score: 100%]
Author / Editor: Renth, F.; Temps, Friedrich; Tröllsch, Arne |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2003 | 10 s.
Journal / Series / Collection: The journal of chemical physics; 118
Subject Area: Chemie und Pharmazie; Physik
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Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations; 18 [Score: 100%]
Author / Editor: Werner, Hans-Joachim; Manby, Frederick R.; Knowles, Peter J. |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2003 | 12 s.
Journal / Series / Collection: The journal of chemical physics; 118
Subject Area: Chemie und Pharmazie
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Metal and ligand hyperfine couplings in transition metal complexes : the effect of spin–orbit coupling as studied by coupled perturbed Kohn–Sham theory; 9 [Score: 100%]
Author / Editor: Neese, Frank |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2003 | 10 s.
Journal / Series / Collection: The journal of chemical physics; 118
Subject Area: Physik
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