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F. Grein

University of New Brunswick

68

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1282

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A multiconfiguration method for excited states of atoms and molecules

2009 International Journal of Quantum Chemistry
- F. Grein
- A. Banerjee
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Citations (30)
Ab initio multireference configuration interaction study of the electronic spectra of carbon chain anions C2n+1− (n=2–5)

2001 Journal of Chemical Physics
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The anomeric effect in oxo acids and esters of phosphorus

2001 Journal of Molecular Structure-theochem
- F. Grein
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The electron-spin magnetic moment (g-tensor) of H2CO+ according to MRCI calculations

2000 Journal of Molecular Structure-theochem
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Chemisorption of ethylene on Si5+ cluster ions. A theoretical study

1998 Chemical Physics Letters
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Multireference configuration interaction calculations of electronic g-tensors for NO2, H2O+, and CO+

1997 Journal of Chemical Physics
- G. H. Lushington
- F. Grein
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Citations (77)
The Spectroscopy of Formaldehyde: III. Out-of-Plane Potentials and Geometry Optimizations for Singlet States

1996 Journal of Molecular Spectroscopy
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The important role of 1(π, π∗) in the UV absorption spectrum of formaldehyde, as shown by ab initio MR CI studies

1996 Chemical Physics Letters
- M. Hachey
- F. Grein
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Ab initio calculations of electron-spin magnetic moments for Li, Be and B hydrides inX2∑+ states

1996 European Physical Journal D
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Complete to second-orderab initio level calculations of electronicg-tensors

1996 Theoretical Chemistry Accounts
- Gerald H. Lushington
- F. Grein
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Citations (31)