G. Rauhut and H.-J. Werner
Analytical energy gradients for local Coupled-Cluster Methods
Phys. Chem. Chem. Phys. 3, 4853 (2001)

J. A. Kłos, G. Chałasiński, M. M. Szczęśniak and H.-J. Werner
Ab initio calculations of adiabatic and diabatic potential energy surfaces of Cl(²P)-HCL(¹Σ⁺) van der Waals complex
J. Chem. Phys. 115, 3085 (2001)

F. J. Aoiz, L. Bañares, J. F. Castillo, M. Menéndez, D. Skouteris and H.-J. Werner
A quantum mechanical and quasi-classical trajectory study of the Cl + H₂ reaction and its isotopic variants. Dependence of the integral cross sections on the collision energy and reagent rotation.
J. Chem. Phys. 115, 2074 (2001)

D. Skouteris, H.-J. Werner, F. J. Aoiz, L. Bañares, J. F. Castillo, M. Menéndez, N. Balucani, L. Cartechini and P. Casavecchia
Experimental and theoretical differential cross sections for the reactions Cl + H₂/D₂
J. Chem. Phys. 114, 10662 (2001)

D. Skouteris, Bernd Hartke and H.-J. Werner
Calculation of the Raman spectrum of photodissociating H₂S around 195 nm
J. Phys. Chem. A 105, 2458 (2001)

S. Kalvoda, B. Paulus, M. Dolg, H. Stoll and H.-J. Werner
Electron correlation effects on structural and cohesive properties of closo-hydroborate dianions (B_nH_n)^2- (n=5-12) and B₄H₄
Phys. Chem. Chem. Phys. 3, 514 (2001)

M. Schütz and H.-J. Werner
Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
J. Chem. Phys. 114, 661 (2001)

M. Dolg, H. Stoll, M. Seth and P. Schwerdtfeger
On the performance of energy-consistent spin-orbit pseudopotentials: (111)H Revisited
Chem. Phys. Lett. 345, 490 (2001)

E. Czuchaj, M. Krośnicki and H. Stoll
Ab initio calculations for the potential curves and spin-orbit coupling of Mg₂
Theor. Chem. Acc. 107, 27 (2001)

P. Botschwina, T. Dutoi, M. Mladenović, R. Oswald, S. Schmatz and H. Stoll
Theoretical investigations of proton-bound cluster ions
Faraday Discuss. 118, 433 (2001)

A. N. Kuznetsov, L. Kloo, M. Lindsjö, J. Rosdahl and H. Stoll
Ab initio calculations on bismuth cluster polycations
Chem. Eur. J. 7, 2821 (2001)

E. Czuchaj, M. Krośnicki and H. Stoll
Quasirelativistic valence ab-initio calculation of the potential curves for the Zn-rare gas van der Waals molecules
Chem. Phys. 265, 291 (2001)

P. Botschwina and H. Stoll
The hydrogen-bonded cluster anions Br^- ... HCCH and I^- ... HCCH: results of coupled cluster calculations
Phys. Chem. Chem. Phys. 3, 1965 (2001)

E. Czuchaj, M. Krośnicki and H. Stoll
Quasirelativistic valence ab-initio calculation of the potential-energy curves for Hg-rare gas atom complexes
Chem. Phys. 263, 7 (2001)

J. Vaara, O. L. Malkina, H. Stoll, V. G. Malkin and M. Kaupp
Study of relativistic effects on nuclear shieldings using density-functional theory and spin-orbit pseudopotentials
J. Chem. Phys. 114, 61 (2001)

E. Czuchaj, M. Krośnicki and H. Stoll
Quasirelativistic valence ab-initio calculation of the potential-energy curves for Cd-Rare gas atom pairs
Theor. Chem. Acc. 105, 219 (2001)

G. Rauhut
Recent Advances in Computing Heteroatom-Rich Five- and Six-Membered Ringsystems
Adv. Heterocycl. Chem. 81, 1 (2001)

G. Rauhut
Theoretical Prediction of a Base-Catalyzed Bicyclic Boulton-Katritzky Rearrangement
J. Org. Chem. 66, 5444 (2001)

J. Stevens, M. Schweizer and G. Rauhut
Toward an Understanding of the Furoxan - Dinitrosoethylene Equilibrium
J. Am. Chem. Soc. 123, 7326 (2001)

E. A. Gastilovich, V. G. Klimenko, N. V. Korol'kova and G. Rauhut
Excited Electronic States and Effect of Vibronic-Spin-Orbit Coupling on the Radiative Deactivation of the Lowest Triplet States of Dioxins
Chem. Phys. 270, 41 (2001)

M. Schütz
Electron Correlation in Large Molecular Systems: From Integral-Direct to Linear Scaling Local Correlation Methods
Habilitationsschrift Universität Stuttgart (2001)

DON Gardner and L. von Szentpaly
Valence-state atoms in molecules. 6. Universal ionic-covalent potential energy curves
J. Chem. Phys. A 105, 9467 (2001)