D. Skouteris, D. E. Manolopoulos, W. Bian, H.-J. Werner, L.-H. Lai and K. Liu
The entrance valley of the Cl+HD reaction
Science 286, 1713 (1999)

U. Manthe, W. Bian and H.-J. Werner
Quantum mechanical calculation of the thermal rate constant for the H₂+Cl → H+HCl reaction
Chem. Phys. Lett. 313, 647 (1999)

M. Schütz, G. Hetzer and H.-J. Werner
Low-order scaling local electron correlation methods. I. Linear scaling local MP2
J. Chem. Phys. 111, 5691 (1999)

D. Simah, B. Hartke and H.-J. Werner
Photodissociation dynamics of H₂S on new coupled ab initio potential energy surfaces
J. Chem. Phys. 111, 4523 (1999)

M. Hochlaf, G. Chambaud, P. Rosmus, T. Andersen and H.-J. Werner
The quartet and sextet states of CS^-
J. Chem. Phys. 110, 11835 (1999)

N. Runeberg, M. Schütz and H.-J. Werner
The aurophilic attraction as interpreted by local correlation methods
J. Chem. Phys. 110, 7210 (1999)

F. Eckert and H.-J. Werner
Local interpolation of ab initio potential energy surfaces for direct dynamics studies of chemical reactions
Chem. Phys. Lett. 302, 208 (1999)

G. Rauhut, A. El Azhary, F. Eckert, U. Schumann and H.-J. Werner
Impact of local approximations on MP2 vibrational frequencies
Spectrochimica Acta 55, 647 (1999); Special Issue: Theoretical spectroscopy: State of the Science

M. Schütz, R. Lindh and H.-J. Werner
Integral-direct electron correlation methods
Mol. Phys. 96, 719 (1999)

S. Záliš, H. Stoll, E. J. Baerends and W. Kaim
The d⁰, d¹ and d² configurations in known and unknown tetrathiometal compounds MS₄^n- (M = Mo, Tc, Ru; W, Re, Os). A Quantum Chemical Study
Inorg. Chem. 38, 6101 (1999)

K. Rościszewski, B. Paulus, P. Fulde and H. Stoll
Ab-initio calculation of ground-state properties of rare-gas crystals
Phys. Rev. B 60, 7905 (1999)

E. Czuchaj and H. Stoll
Calculation of ground- and excited-State potential energy curves for the Cd-rare gas complexes
Chem. Phys. 248, 1 (1999)

A. Shukla, M. Dolg, P. Fulde and H. Stoll
Wavefunction-based correlated ab-initio calculations on crystalline solids
Phys. Rev. B 60, 5211 (1999)

P. Fulde, H. Stoll and K. Kladko
On the ground state of solids with strong electron correlations
Chem. Phys. Lett. 299, 481 (1999)

G. Rauhut and F. Eckert
A Computational Study on the Mechanism and Kinetics of the Pyrolysis of 2-Nitrophenyl Azide
J. Phys. Chem. A 103, 9086 (1999)

G. Rauhut and F. Eckert
Quantum Chemical Studies on the Reactivity of Electron-Rich Heterocycles: Benzofuroxans
Science Progress 82, 209 (1999)

F. Eckert, G. Rauhut, A. R. Katritzky and P. J. Steel
A Theoretical and Experimental Study of the Molecular Rearrangement of 5-Methyl-4-nitrobenzofuroxan
J. Am. Chem. Soc. 121, 6700 (1999)

R. Lindh, A. Bernhardsson and M. Schütz
Benzyne Thermochemistry: A Benchmark ab Initio Study
J. Phys. Chem. A, 103 9913 (1999)

R. Lindh, A. Bernhardsson and M. Schütz
Force-Constant Weighted Redundant Coordinates in Molecular Geometry Optimizations
Chem. Phys. Letters 303, 567 (1999)

R.Polly and P. R. Taylor
Calculations of the absorption spectrum of chromone
J. Phys. Chem. A 103, 10343 (1999)

R. Polly, S. Dinev, L. Windholz, S. Milošević and B. A. Hess
Green bands of the CsHg molecule
J. Chem. Phys. 110, 8992 (1999)

DON Gardner and L. von Szentpaly
Valence state atoms in molecules. 5. Universal scaling of the inner branch of fifty RKR potential energy curves. Comparison of the valence state, Morse, and Rydberg curves
J. Chem. Phys. A 103, 9313 (1999)