Publications

Danna Qasim, Gleb Fedoseev, Thanja Lamberts, Ko-Ju Chuang, Jiao He, Sergio Ioppolo, Johannes Kästner, and Harold Linnartz. Alcohols on the Rocks: Solid-State Formation in a H₃CC≣CH + OH Cocktail under Dark Cloud Conditions. ACS Earth Space Chem., (3)6:986-999, 2019. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL

Christopher N. Shingledecker, Sonia Álvarez-Barcia, Viktoria H. Korn, and Johannes Kästner. The Case of H₂C₃O Isomers, Revisited: Solving the Mystery of the Missing Propadienone. Astrophys. J., (878)2:80, 2019. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL

Thanja Lamberts, Max N. Markmeyer, Florian J. Kolb, and Johannes Kästner. Formation of Acetaldehyde on CO-Rich Ices. ACS Earth Space Chem., (3)6:958-963, 2019. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL

Ewa Anna Oprzeska-Zingrebe, Miriam Kohagen, Johannes Kästner, and Jens Smiatek. Unfolding of DNA by co-solutes: insights from Kirkwood--Buff integrals and transfer free energies. Eur. Phys. J. - S. T., (227)14:1665--1679, 2019. [PUMA: chemie from:alexanderdenzel imported kaestner kästner stuttgart theochem theoretische] URL

Christian Holm, Thomas Ertl, Siegfried Schmauder, Johannes Kästner, and Joachim Gross. Particle methods in natural science and engineering. Eur. Phys. J. - S. T., (227)14:1493--1499, 2019. [PUMA: chemie from:alexanderdenzel imported kaestner kästner stuttgart theochem theoretische] URL

Jesus F. Castillo, David E. Manolopoulos, Klaus Stark, and Hans Joachim Werner. Quantum mechanical angular distributions for the F+H₂reaction. J. Chem. Phys., (104)17:6531–6546, May 1996. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

Hans‐Joachim Werner, Bernd Follmeg, Millard H. Alexander, and Didier Lemoine. Quantum scattering studies of electronically inelastic collisions of CN ( X 2 Σ + , A 2 Π) with He. J. Chem. Phys., (91)9:5425–5439, 1989. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

F. J. Aoiz, L. Bañares, V. J. Herrero, V. Sáez Rábanos, K. Stark, I. Tanarro, and H. J. Werner. The F + HD reaction: Cross sections and rate constants on an ab initio potential energy surface. Chem. Phys. Lett., (262)3-4:175–182, 1996. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

Hans Joachim Werner, and A. D. Buckingham. An accurate ab initio calculation of the dipole moment function of GeH. Chem. Phys. Lett., (125)5-6:433–437, 1986. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

Hans Joachim Werner, and Wilfried Meyer. Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms. Phys. Rev. A, (13)1:13–16, January 1976. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

S. V. ONeil, P. Rosmus, and H.‐J. Werner. The radiative lifetime of A 1 Π u C 2. J. Chem. Phys., (87)5:2847–2853, 1987. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

Heinrich Schomburg, Hubert Staerk, Albert Weller, and Hans Joachim Werner. Temperature dependence of the geminate recombination of radical ion pairs. Chem. Phys. Lett., (56)3:399–403, June 1978. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

Hans Martin Keller, Heiner Floethmann, Abigail J. Dobbyn, Reinhard Schinke, Hans Joachim Werner, Cornelia Bauer, and Pavel Rosmus. The unimolecular dissociation of HCO. II. Comparison of calculated resonance energies and widths with high-resolution spectroscopic data. J. Chem. Phys., (105)12:4983–5004, 1996. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

K. Stark, J. F. Castillo, B. Martínez-Haya, L. Bañares, H.-J. Werner, F. J. Aoiz, and D. E. Manolopoulos. Ab Initio Simulation of Molecular Beam Experiments for the F + H₂ → HF + H Reaction. J. Phys. Chem. A, (101)36:6403–6414, 2002. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

Andreas Jörg, Alessandra Degli Esposti, and Hans‐Joachim Werner. Quantum scattering study of rotational energy transfer in OH( A 2 Σ + , v '=0) in collisions with He( 1 S ). J. Chem. Phys., (93)12:8757–8763, 1990. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

Dimitris Skouteris, Antonio Laganà, Gabriella Capecchi, and Hans-Joachim Werner. Rotational and alignment effects in a wave packet calculation for the Cl + H₂ reaction. Int. J. Quantum Chem., (99)5:577–584, 2004. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

Hans Joachim Werner, and Peter J. Knowles. A second order multiconfiguration SCF procedure with optimum convergence. J. Chem. Phys., (82)11:5053–5063, June 1985. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

J. Grant Hill, James A. Platts, and Hans Joachim Werner. Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods. Phys. Chem. Chem. Phys., (8)35:4072–4078, 2006. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

J Senekowitsch, S Carter, H J Werner, and P Rosmus. Vibrational radiative lifetimes in H₂Se and HCS-. Chem. Phys. Lett., (140)4:375–380, 1987. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL

S V ONeil, P Rosmus, D W Norcross, and H J Werner. Bound electronic states of HCl₂. J. Chem. Phys., (85)12:7232–7240, 1986. [PUMA: chemie imported werner from:alexanderdenzel theoretische stuttgart theochem] URL