Subject: 98.09.14 NMR-EPR-98 conference, Bratislava, Slovakia

From: Jan Labanowski <[email-masked]>
Date: Mon, 15 Sep 1997 09:50:15 -0400 (EDT)

First Announcement/Circular:

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                       CONFERENCE ON 
   "Quantum Chemical Calculations of NMR and EPR Parameters" 
            Bratislava (castle Smolenice), Slovakia, 
                  on 14 - 18  September,  1998. 
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Scientific Program 
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This four day conference will bring together scientists interested in the 
computation and interpretation of NMR and EPR parameters. In addition to the 
exchange between the developers and users of state-of-the-art quantum-chemical 
methods in the field, talks by leading experimentalists are planned. This 
should demonstrate possible applications in various scientific areas and define 
future challenges, ranging from the biological sciences and preparative 
chemistry to materials research. The meeting should also help to evaluate 
formal and computational similarities between NMR and EPR parameter 
computations. The main emphasis will be on non-empirical quantum chemical 
methods, including HF, post-HF, and DFT approaches. Attention will be given 
to electron correlation, relativistic effects, as well as to the effects 
of nuclear motion and environmental influences.

Major Topics Include: 
---------------------
Studies of nuclear shielding tensors, spin-spin coupling, nuclear quadrupole 
coupling, hyperfine coupling, electronic g-tensors 

Organizing Committee
-------------------- 
V.G. Malkin (Bratislava,Slovakia)  (Chair) 
M. Kaupp (Stuttgart,Germany)

International  Scientific  Committee
------------------------------------ 
W. Kutzelnigg (Bochum,Germany)
J. Oddershede (Odense,Denmark)
P. Pyykko (Helsinki,Finland)
W.T. Raynes (Sheffield,UK)
J.A. Tossell (Maryland,USA)

Local Committee
--------------- 
E. Komorowska, V.G. Malkin (Chair),
O.L. Malkina, J. Noga   
D. Tunega, L. Turi Nagy

List of speakers (up to now):
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V. Barone (Napoli, Italy)
R. J. Bartlett (Gainesville,USA)    
M. Buehl (Zuerich,Switzerland)   
D. M. Chipman (Notre Dame,USA)
B. Engels (Bonn,Germany)
L. A. Eriksson (Stockholm, Sweden)
R. R. Ernst (Zuerich,Switzerland)
J. C. Facelli (Salt Lake City,USA)   
J. Gauss (Mainz,Germany)
F. Grein (Fredericton,Canada)
N. C. Handy (Cambridge,UK)
C. J. Jameson (Chicago,USA)
S. Karna (USAF,USA)
J. Oddershede (Odense,Denmark))
P. Pulay (Fayetteville,USA)
W. T. Raynes (Sheffield, UK)
K. Ruud (Oslo,Norway)
D. R. Salahub (Montreal, Canada)
N. M. Sergeyev (Moscow, Russia)
E. van Lenthe (Nijmegen, The Netherlands)
P. von R. Schleyer (Erlangen,Germany)
R. E. Wasylishen (Halifax,Canada)
J. Weber (Geneva,Switzerland)
T. Ziegler (Calgary,Canada)
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Sponsored by the World Association of Theoretically Oriented Chemists (WATOC).
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More information with continuous updates, as well as preliminary registration
forms are available on the conference web pages:
http://www.theochem.uni-stuttgart.de/~mkaupp/smolen.html
http://www.savba.sk/sav/inst/uach/smolen.html
To receive the official second circular, preliminary registration should
be completed by e-mail to [email-masked] or by regular mail to:
                           NMR-EPR-98
                    Institute of Inorganic Chemistry
                     Slovak Academy of Sciences
                          Dubravska Cesta 9
                         SK-84236 Bratislava
                            Slovak Republic
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NMR-EPR-98 Conference, Bratislava

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