Participate Awardees

7 hits in 0.023 sec.

Analytic second derivatives for general coupled-cluster and configuration-interaction models; 15 [Score: 100%]
Author / Editor: Mihály, Kállay; Gauß, Jürgen |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2004 | 8 s.
Journal / Series / Collection: The journal of chemical physics; 120
Subject Area: Physik; Chemie und Pharmazie
Calculation of excited-state properties using general coupled-cluster and configuration-interaction models; 19 [Score: 100%]
Author / Editor: Kállay, Mihály; Gauß, Jürgen |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2004 | 13 s.
Journal / Series / Collection: The journal of chemical physics; 121
Subject Area: Physik
Coupled-cluster methods including noniterative corrections for quadruple excitations; 5 [Score: 100%]
Author / Editor: Bomble, Yannick J.; Gauß, Jürgen |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2005 | 8 s.
Journal / Series / Collection: The journal of chemical physics; 123
Subject Area: Physik; Chemie und Pharmazie
HEAT : High accuracy extrapolated ab initio thermochemistry; 23 [Score: 100%]
Author / Editor: Tajti, Attila; Gauß, Jürgen |  Place of publication: Melville, NY |  Publisher: American Institute of Physics |  Year of Publication: 2004 | 15 s.
Journal / Series / Collection: The journal of chemical physics; 121
Subject Area: Chemie und Pharmazie; Physik
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
[External link] Structure assignment in the solid state by the coupling of quantum chemical calculations with NMR experiments : a columnar hexabenzocoronene derivative; 11 [Score: 100%]
Author / Editor: Ochsenfeld, Christian; Gauß, Jürgen |  Place of publication: Washington, DC |  Publisher: American Chemical Society |  Year of Publication: 2001
Journal / Series / Collection: Journal of the American Chemical Society; 123
Subject Area: Chemie und Pharmazie
[External link] The equilibrium structure of benzene; 13 [Score: 100%]
Author / Editor: Gauß, Jürgen; Stanton, John F. |  Place of publication: Washington, DC |  Publisher: American Chemical Society |  Year of Publication: 2000
Journal / Series / Collection: The journal of physical chemistry A; 104
Subject Area: Chemie und Pharmazie