Main

Fields of interest:

• Electronic structure of stable and unstable molecules
• Electronic structure of transition states in reactions

Recent publications:

T. Jarón, W. Grochala and R. Hoffmann:
How Do Electrons Travel in Unusual Metallic Fluorides of Ag+2?,
Phys. Statut Solidi B, Vol. 242(1), (2005), R1-R3.

M. Oana, R. Hoffmann, H.D. Abruna and F.J. DiSalvo:
Adsorption of CO on PtBi2 and PtBi surfaces,
Surface Sci., Vol. 574, (2005), pp. 1-16.

Beate Flemmig, P.T. Wolczanski and R. Hoffmann:
Transition Metal Complexes of Cyclic and Open Ozone and Thiozone,
J. Am. Chem. Soc., Vol. 127, (2005), pp. 1278-1285.

R.M. Minyeav, T.N. Gribanova, V.I. Minkin, A.G. Starikov and R. Hoffmann:
Planar and Pyramidal Tetracoordinate Carbon in Organoboron Compounds,
J. Org. Chem., Vol. 70, (2005), pp. 6693-6704.

G. Markopoulos, P.M. Donovan, L.T. Scott and R Hoffmann:
Squeezing C-C Bonds, Deborah Huntley,
Angew. Chem., Vol. 117, (2005), pp. 7721-7725;
Angew. Chem. Intl. Ed., Vol. 44(46), (2005), pp. 7549-7553.

Kee Hag Lee and R. Hoffmann:
Oxygen Interstitials in Superconducting La2CuO4: Their Valence State and Role,
J. Phys. Chem. A, Vol. 110, (2006), pp. 609-617.

J. Feng, W. Grochala, T. Jarón, R. Hoffmann, A. Bergera and N.W. Ashcroft:
Structures and Potential Superconductivity in SiH4 at High Pressure - En Route to "Metallic Hydrogen",
Phys. Rev. Lett., Vol. 96, (2006), 017006 1-3.

T. Jarón, W. Grochala and R. Hoffmann:
Prediction of thermodynamic stability and electronic structure of novel ternary lanthanide hydrides,
J. Mater. Chem., Vol. 16, (2006), pp. 1154-1160.

D.J. Tantillo and R. Hoffmann:
Snakes and Ladders: the Sigmatropic Shiftamer Concept,
Accounts of Chem. Research, Vol. 39(7), (2006), pp. 477-486.

P.D. Pancharatna and R. Hoffmann:
Theoretical Studies on Doubly and Triply Linked Polymers of Ge9 Clusters,
Inorganica Chimica Acta, Vol. 359, (2006), 3776-3784.

K.J. Donald and R. Hoffmann:
Solid Memory: Structural Preferences in Group 2 Dihalide Monomers, Dimers and Solids,
J. Am. Chem. Soc., Vol. 128(34), (2006), pp. 11236-11249.