GIAO studies of magnetic shielding in FHF- and HF
- 作者Robert Ditchfield
- 卷第40卷
- 期第1期
- 印刷ISSN0009-2614
- 文件大小384.85KB
- 发表时间1976
- DOI10.1016/0009-2614(76)80119-4
- 页码53-56
Non-adiabatic coupling matrix elements <Ψz|∂/∂Q|Ψβ> for large CI wavefunctionsGerhard Hirsch; Pablo J. Bruna; Robert J. Buenker; Sigrid D. Peyerimhoff · 1980
Ab initio CI study of the electronic spectrum of acetoneBernd Hess; Pablo J. Bruna; Robert J. Buenker; Sigrid D. Peyerimhoff · 1976
The ground state of the CN+ ion: a multi-reference Ci studyPablo J. Bruna; Sigrid D. Peyerimhoff; Robert J. Buenker · 1980
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Ab initio study of the structure, isomers and vertical electronic spectrum of the formyl radical HCOPablo J. Bruna; Robert J. Buenker; Sigrid D. Peyerimhoff · 1976
Comparison of perturbatively corrected MRD CI results with a full CI treatment of the BH ground statePeter G. Burton; Robert J. Buenker; Pablo J. Bruna; Sigrid D. Peyerimhoff · 1983
Ab initio investigation of the HCO+ and COH+ molecule-ions: Structure and potential surfaces for dissociation in ground and excited statesPablo J. Bruna; Sigrid D. Peyerimhoff; Robert J. Buenker · 1975