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Univ.-Prof. Dr. rer. nat. Jürgen Gauss

Institut für Physikalische Chemie, Johannes Gutenberg-Universität Mainz

Welderweg 11, Raum: J 01-157

  • 06131/39-23736
  • 06131/39-23768
Publikationen
Ergebnisse pro Seite:  10

Stanton, John F.; Gauss, Jürgen; Christiansen, Ove

Equilibrium geometries of cyclic SiC3 isomers

The journal of chemical physics. Bd. 114. H. 7. Melville, NY: AIP 2001 S. 2993 - 2995


Bak, K. L; Gauss, J.; Jorgensen, P. et al.

Equilibrium Structures from Electronic Structure Calculations

The Journal of the Chemical Physics. Bd. The Journal of the Chemical Physics. 2001 S. 6548-6556


Ochsenfeld, Christian; Brown, Steven P.; Schnell, Ingo et al.

Structure Assignment in the Solid State by the Coupling of Quantum Chemical Calculations with NMR Experiments: A Columnar Hexabenzocoronene Derivative

Journal of the American Chemical Society. JACS. Bd. 123. H. 11. Washington, DC: American Chemical Society 2001 S. 2597 - 2606


Coriani, Sonia; Halkier, Asger; Jørgensen, Poul et al.

ARTICLES - Theoretical Methods and Algorithms - Coupled cluster investigation of Sternheimer shieldings and electric field gradient polarizabilities

The journal of chemical physics. Bd. 113. H. 5. Melville, NY: AIP 2000 S. 1688 - 1697


Bak, K.L.; Jørgensen, P.; Olsen, J. et al.

Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies

Chemical physics letters. Bd. 317. H. 1. Amsterdam: North-Holland Publ. Co. 2000 S. 116 - 122


Gauss, Jürgen; Stanton, John F.

LETTERS - The Equilibrium Structure of Benzene

The journal of physical chemistry. Bd. 104. H. 13. Washington, DC: Soc. 2000 S. 2865 - 2868


Christiansen, Ove; Gauss, Jürgen; Schimmelpfennig, Bernd

Research Papers - Properties of Molecules - Spin-orbit coupling constants from coupled-cluster response theory

Physical chemistry, chemical physics. PCCP ; a journal of European Chemical Societies. Bd. 2. H. 5. Cambridge: The Royal Soc. of Chemistry 2000 S. 965 - 972


Gauss, J.; Stanton, J.F.

Special Issue - In Honor of Dr Michael C Zerner - Equilibrium Structure of LiCCH

International journal of quantum chemistry. Bd. 77. H. 1. New York, NY: Wiley 2000 S. 305 - 310


Gauss, Jürgen; Stanton, John F.

Special Issue Papers - Analytic first and second derivatives for the CCSDT-n (n

Physical chemistry, chemical physics. PCCP ; a journal of European Chemical Societies. Bd. 2. H. 10. Cambridge: The Royal Soc. of Chemistry 2000 S. 2047 - 2060


Gauss, Jürgen; Werner, Hans-Joachim

Special Issue Papers - NMR chemical shift calculations within local correlation methods: The GIAO-LMP2 approach

Physical chemistry, chemical physics. PCCP ; a journal of European Chemical Societies. Bd. 2. H. 10. Cambridge: The Royal Soc. of Chemistry 2000 S. 2083 - 2090