L. von Szentpaly
Universal Method to Calculate the Stability, Electronegativity, and Hardness of Dianions
J. Phys. Chem. A 114, 10891 (2010)

H. Stoll
Can Incremental Expansions Cope with High-Order Coupled-Cluster Contributions?
Mol. Phys. 108, 243 (2010)

P. Sebald, H. Vennekate, R. Oswald, P. Botschwina und H. Stoll
A Theoretical Study of ZnH₂, a Case of Very Strong Darling-Dennison Resonance
Mol. Phys. 108, 487 (2010)

S. Chabbal, H. Stoll, H.-J. Werner und Th. Leininger
Analytic gradients for the combined sr-DFT/lr-MP2 method: application to weakly bound systems
Mol. Phys. 108, 3373 (2010)

S. Chabbal, D. Jacquemin, C. Adamo, H. Stoll und Th. Leininger
Communication: Bond length alternation of conjugated oligomers: Another step on the fifth rung of Perdew's ladder of functional
J. Chem. Phys. 133, 151104 (2010)

T. Shiozaki und H.-J. Werner
Communication: Second-order multireference perturbation theory with explicit correlation: CASPT2-F12
J. Chem. Phys. 133, 141103 (2010)

H.-J. Werner, G. Knizia, T.B. Adler und O. Marchetti
Benchmark Studies for Explicitly Correlated Perturbation- and Coupled Cluster Theories
Z. Phys. Chem. 224, 493 (2010)

E. Goll, H.-J. Werner und H. Stoll
Coupling of Short-range Density-functional with Long-range Post-Hartree-Fock Methods
Z. Phys. Chem. 224, 481 (2010)

J.M. Dieterich, H.-J. Werner, R.A. Mata, S. Metz, W. Thiel
Reductive half-reaction of aldehyde oxidoreductase toward acetaldehyde: Ab initio and free energy quantum mechanical/molecular mechanical calculations
J. Phys. Chem. 132, 035101 (2010)

S. Santra, H. Stoll und G. Rauhut
Simultaneous adsorption of benzene and dioxygen in CuHY zeolites as a precursor process to the aerobic oxidation of benzene to phenol
Phys. Chem. Chem. Phys. 12, 6345 (2010)

S. Heislbetz und G. Rauhut
Vibrational multiconfiguration self-consistent field theory: Implementation and test calculations
J. Chem. Phys. 132, 124102 (2010)

J. Huh, M. Neff, G. Rauhut und R. Berger
Franck-Condon profiles in photodetachment-photoelectron spectra of HS2- and DS2- based on vibrational configuration interaction wavefunctions
Mol. Phys. 108, 409 (2010)

P. Knowles, G. Rauhut und H. Stoll
A Special Issue in Honour of Professor Hans-Joachim Werner
Mol. Phys. 108, 221 (2010)

C. Thierfelder, G. Rauhut und P. Schwerdtfeger
Relativistic coupled-cluster study of the parity-violation energy shift of CHFClBr
Phys. Rev. A 81, 032513 (2010)

S. Rajagopalan, T. Asthalter, V. Rabe, S. Laschat, G. Rauhut und E. Roduner
Vibrational dynamics of a trinuclear oxo-bridged iron complex as studied by nuclear inelastic scattering, Mossbauer spectroscopy and DFT calculations
J. Phys.: Conf. Ser. 217, 012030 (2010)

J. Kästner und P. Sherwood
The ribosome catalyzes peptide bond formation by providing high ionic strength
Mol. Phys. 108, 293 (2010)

T. P. M. Goumans und J. Kästner
Hydrogen Atom Tunneling Could Contribute to H₂ Formation in Space
Angew. Chem. Int. Ed. 49, 7350 (2010)

T. P. M. Goumans und J. Kästner
Tunneln von Wasserstoffatomen kann zur Bildung von H₂ im Weltraum beitragen
Angew. Chem. 122, 7508 (2010)