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33646277344
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note
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Coupling constants for the H^Oi, H5O2+, HjCV, and several other hydrogen bonded systems including nitrogen and oxygen atoms were presented by R. J. Bartlett at the Internationa] Conference on "Quantum Chemical Calculations of NMR and EPR Parameters", Castle Smolenice, Slovak Republic, Sept 14-18, 1998.
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84986468715
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33646325867
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ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: Stanton, J. F.; Gauss, J.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Perera. S. A.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.: Balkova, A.; Bernholdt, D. E.; Baeck, K.-K.; Rozyczko, P.; Sekino, H.; Huber, C.; Bartlett, R. J. Integral packages included are VMOL (Almlof, J.; Taylor, P. R.), VPROPS (Taylor, P. R.), and ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jorgensen, P.; Olsen, J.; Taylor, P. R.).
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ACES II is a program product of the Quantum Theory Project, University of Florida. Authors: Stanton, J. F.; Gauss, J.; Watts, J. D.; Nooijen, M.; Oliphant, N.; Perera. S. A.; Szalay, P. G.; Lauderdale, W. J.; Gwaltney, S. R.; Beck, S.: Balkova, A.; Bernholdt, D. E.; Baeck, K.-K.; Rozyczko, P.; Sekino, H.; Huber, C.; Bartlett, R. J. Integral packages included are VMOL (Almlof, J.; Taylor, P. R.), VPROPS (Taylor, P. R.), and ABACUS (Helgaker, T.; Jensen, H. J. Aa.; Jorgensen, P.; Olsen, J.; Taylor, P. R.).
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0000987631
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