5 hits in 0.016 sec.
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
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
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
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
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
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
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
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
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
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