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5. G. Corongiu and E. Clementi, 1. Chern. , 98, 4984 (1993). 6. F. Sciortino and G. Corongiu, J. Chern. , 98, 5694 (1993). 7. F. Sciortino and G. Corongiu, Mol. , 79, 547 (1993). 8. E. Clementi, G. Corongiu and F. Sciortino, 1. Mol. , 296, 205 (1993). 28 9. R. Bartlett, I. Shavitt and G. D. Purvuis, J. Chern. , 71, 281 (1979). 10. W. S. Benedict, N. Gailar and E. K. Plyler, 1. Phys. , 24, 1139 (1956). 11. (a) A H. Narten and H. A Levy, 1. Chern. , 55, 2263 (1971). (b) L. Bosio, S. H. Chen and J.

The first band extends up to 1000 cm- I and corresponds to the librational motions, the second one to the bending mode (V2), and the last one to the stretching modes, symmetric (VI) and asymmetric (vJ). The dotted vertical lines refer to frequencies for one single water molecule in vacuo, computed with the same potential we have used to study the liquid. Comparison with experimental data has been discussed in Sec. 7. 1000. 2000. 3000. 4000. w(cm -') Figure 21. Density of states of the hydrogen atoms.

J. H. Detrich, G. Corongiu, and E. Clementi, Chern. Phys. , 112, 426 (1984). Wojick and E. Clementi, J. Chern. , 84, 5970 (1986). 47. O. Matsuoka, E. Clementi, and M. Yoshimine, 1. Chern. , 64, 1351 (1976). M. IONIC HYDROGEN BOND ASSEMBLIES IN CLUSTERS: RESOURCES AND OPPORTUNITIES FOR MODELING MICHAEL MEOT-NER (MAUTNER) Chemical Kinetics and Thermodynamics Division National Institute of Standards and Technology Gaithersburg, MD 20899 ABSTRACT. Thermochemical data are available for ionic hydrogen bonded (IHB) assemblies with various structural features, from dimers and intramolecular bonds, to large clusters and polydentate systems.

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A textbook of inorganic chemistry vol.XI part II Organometalic compounds. Derivatives of Phosphorus, Antimony and Bismuth


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