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The HF calculations were performed using the GAMESS (17) program package; all other calculations employed Gaussian 98 (1) (18).
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Structures of compounds involved in 3C-Ugi reaction were fully optimized with the internal 6-31+g(d,p) basis set [19, 20], and DFT (M062X) method  procedures implemented in Gamess software .
However, he is free to compete in major championships outside the Olympic Gamess, including this year's World Championships in Berlin.
"The Powell cluster has proven capable of delivering exceptional performance on applications that are important to the DoD such as GAMESS and CTH, while at the same time being easily integrated into a production HPC environment," said Thomas Kendall, lead systems engineer at the ARL MSRC.
Key Personnel: Jeffrey Garness, PE/Press.; Liss Gamess, VP
Zheng Zhi returns after his exertions at the Olympic Gamess with China, but Linvoy Primus is not yet fully match-fit following his loan move from Portsmouth.
Head coach Ian Wright describes playing in China as "going into the lions' den" since it will be the first time the Olympic Gamess has featured in a major badminton playing country since the sport was accepted into the Games.
Paula Radcliffe has criticised plans to make the European Championships a biennial event because it will clash with the Olympic Gamess.
Johnson, who was stripped of his gold medal for the 100 metres at the Seoul Olympic Gamess in 1988, offered the risible theory that athletics fans want speed at all costs - even if it means athletes are doped up before hitting the track.
Once appendicitis had robbed him of a proper build-up to the Athens Olympic Gamess, the 24-year-old spent the rest of the summer chasing his tail trying to attain the 8.19m qualifying standard that would have guaranteed his passage to Greece.
Justin Gatlin sprang one of the surprises of the Olympic Gamess as he won the mens' 100 metres final last night.
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