Subject Areas | Chemie und Pharmazie

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Ab initio calculation of spin-orbit effects in molecules including electron correlation [Score: 100%]
Author / Editor: Hess, Bernd A.; Marian, C. M.; Peyerimhoff, Sigrid |  Place of publication: Singapore [u.a.] |  Publisher: World Scientific |  Year of Publication: 1995 | 127 s.
Journal / Series / Collection: Modern electronic structure theory; 1
Subject Area: Chemie und Pharmazie
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Analysis and predictions of the vibronic spectrum of the ethynyl radical C2H by ab initio methods; 2 [Score: 100%]
Author / Editor: Perić, Miljenko N.; Peyerimhoff, Sigrid; Buenker, Robert J. |  Place of publication: Berlin [u.a.] |  Publisher: Springer |  Year of Publication: 1992 | 22 s.
Journal / Series / Collection: Zeitschrift für Physik D: atoms, molecules and clusters; 24
Subject Area: Chemie und Pharmazie
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A comparative ab initio study of the Si2C4, Si3C3, Si4C2 clusters; 8 [Score: 100%]
Author / Editor: Froudakis, Georgios; Peyerimhoff, Sigrid |  Place of publication: Woodbury, NY |  Publisher: American Institute of Physics |  Year of Publication: 1994 | 10 s.
Journal / Series / Collection: The journal of chemical physics; 101
Subject Area: Chemie und Pharmazie
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[External link] Can the methoxyradical CH3O act as sink for Cl and ClO in the atmosphere?; 7 [Score: 100%]
Author / Editor: Schnell, Melanie; Mühlhäuser, Max; Peyerimhoff, Sigrid |  Place of publication: Washington, DC |  Publisher: American Chemical Society |  Year of Publication: 2004
Journal / Series / Collection: The journal of physical chemistry A; 108
Subject Area: Chemie und Pharmazie
[External link] Molecular geometry and the Mulliken-Walsh molecular orbital model : an ab initio study; 2 [Score: 100%]
Author / Editor: Buenker, Robert J.; Peyerimhoff, Sigrid |  Place of publication: Washington, DC |  Publisher: American Chemical Society |  Year of Publication: 1974
Journal / Series / Collection: Chemical reviews; 74
Subject Area: Chemie und Pharmazie

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