CHIMIA 5/2004, Vol. 58

Theoretical Chemistry 2004 06

Scientific Content

All articles of this issue are available on Ingenta.

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Molecular Spectroscopy and Dynamics

 

 

 

 

 

Additional content

Editorial

263

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263

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Theoretical Chemistry: Molecular Spectroscopy and Dynamics
F. Mariotti, M. Quack, Willeke, Martin; Stohner, Jürgen

   276 Icon OpenAccessContent Icon ExternalLink

Ab initio Vibration-Rotation Spectroscopy
W. Thiel

   281 Icon OpenAccessContent Icon ExternalLink

High-Resolution Photoelectron Spectroscopy and ab initio Quantum Chemistry
S. Willitsch, A. Wüest, F. Merkt

   287 Icon OpenAccessContent Icon ExternalLink

Effects of the Wire Length on H-Atom Transfer in 7-Hydroxyquinoline·(NH3)n: n = 2 and 3
C. Manca, Ch. Tanner, S. Leutwyler

   291 Icon OpenAccessContent Icon ExternalLink

Coupled Anharmonic Vibrational Dynamics of the Hydrogen Bond in Binary Complexes
M. Goubet, B. Madebène, M. Lewerenz

   296 Icon OpenAccessContent Icon ExternalLink

Potential Energy Surfaces for Vibrational and Rotational Wave Packet Motion in Polyatomic Molecular Systems
F. Cuvelier, S. Hervé, R. Marquardt, K. Sagui

   306 Icon OpenAccessContent Icon ExternalLink

Quantum State Resolved Studies of Gas/Surface Reaction Dynamics
R. Beck, T. Rizzo

 

 311

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Quantum Chemistry 'Without Orbitals' – An Old Idea and Recent Developments
T. Wesolowski

 

 316

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Modelling Properties of Molecules with open d- or f-Shells Using Density Functional Theory
C. Daul

Conference Reports

321

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Diverses

328

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SCG/SSC/SCS

329 Icon FreeContent

CHIMIA-Report

341

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