Temperature dependence of 1H and 17O NMR shifts of water: Entropy effect

Applied Magnetic Resonance

Volumn 32, Issue 3, 2007, Pages 363-376

  Balevicius, Vytautas ^a   Aidas, K ^b  

^a VILNIUS UNIVERSITY   (Lithuania)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 47849110093     PISSN: 09379347     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00723-007-0021-4     Document Type: Article

References (48)

1. McDonald, P.J., Keddie, J.L.: Europhys. News 33, 48-51 (2002)
2. McDannold, N.: J. Hyperthermia 21, 533-546 (2005)
3. Blumler, P., Blümich, B., Botto, R., Fukushima, E. (eds.): Spatially Resolved Magnetic Resonance: Methods, Materials, Medicine, Biology, Rheology, Geology, Ecology, Hardware. Wiley-VCH, Weinheim (1998)
4. Mizuno, K., Kimura, Y., Morichika, H., Nishimura, Y., Shimada, S., Maeda, S., Imafuji, S., Ochi, T.: J. Mol. Liq. 85, 139-152 (2000)
5. Balevicius, V., Gdanec, Z., Fuess, H.: J. Chem. Phys. 123, 224503-1-5 (2005)
6. Kostko, A.F., Anisimov, M.A., Sengers, J.V.: Phys. Rev. E 70, 026118-1-11 (2004)
7. Balevicius, V., Blinc, R.: Lithuanian J. Phys. 41, 495-499 (2001)
8. Kimtys, L., Balevicius, V.: J. Chem. Phys. 74, 6532-6533 (1981)
9. Tsukahara, T., Harada, M., Tomiyasu, H., Ikeda, Y.: J. Supercrit. Fluids 26, 73-82 (2003)
10. Modig, K., Halle, B.: J. Am. Chem. Soc. 124, 12031-12041 (2002)
11. Pfrommer, B.G., Mauri, F., Loule, S.G.: J. Am. Chem. Soc. 122, 123-129 (2000)
12. Karadakov, P.B.: J. Mol. Struct. 602, 293-301 (2002)
13. Svishchev, I.M., Kusalik, P.G.: J. Am. Chem. Soc. 115, 8270-8274 (1993)
14. Vaara, J., Lounila, J., Ruud, K., Heigaker, T.: J. Chem. Phys. 109, 8388-8397 (1998)
15. Klein, R.A., Mennuci, B., Tomasi, J.: J. Phys. Chem. A 108, 5851-5863 (2004)
16. Borowski, P., Jaroniec, J., Janowski, T., Wolinski, K.: Mol. Phys. 101, 1413-1421 (2003)
17. Nymand, T.M., Astrand, P.O., Mikkelsen, K.V.: J. Phys. Chem. B 101, 4105-4110 (1997)
18. Martin, R.B.: Chem. Rev. 96, 3043-3064 (1996)
19. Davis, D.B., Dijmant, L.N., Veselkov, A.N.: J. Chem. Soc. Faraday Trans. 92, 383-390 (1996)
20. King, R.B. (ed.): Chemical Applications of Topology and Graph Theory. Studies in Physical and Theoretical Chemistry, vol. 28. Elsevier, Amsterdam (1983)
21. Zefirov, N.S., Kuchanov, S.I. (eds.): Application of Graph Theory in Chemistry. Nauka, Novosibirsk (1988)
22. Andersen, G.R., Wheeler, J.C.: J. Chem. Phys. 69, 3403-3413 (1978)
23. Goldstein, R.E., Walker, J.S.: J. Chem. Phys. 78, 1492-1512 (1983)
24. Balevicius, V., Aidas, K., Tamuliene, J., Fuess, H.: Spectrochim. Acta Part A 61, 835-839 (2005)
25. Aidas, K., Balevicius, V.: J. Mol. Liq. 127, 134-138 (2006)
26. Becke, A.D.: J. Chem. Phys. 98, 5648-5652 (1993)
27. Parr, R.G., Yang, W.: Density-Functional Theory of Atoms and Molecules. Oxford University Press, Oxford (1989)
28. Lee, C., Yang, W., Parr, R.G.: Phys. Rev. B 37, 785-789 (1988)
29. Krishnan, R., Binkley, J.S., Seeger, R., Pople, J.A.: J. Chem. Phys. 72, 650-654 (1980)
30. Clark, T., Chandrasekhar, J., Schleyer, P.V.R.: J. Comput. Chem. 4, 294-301 (1983)
31. Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery, J.A. Jr., Vreven, T., Kudin, K.M., Burant, J.C., Millam, J.M., Iyengar, S.S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G.A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J.E., Hratchian, H.P., Cross, J.B., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Ayala, P.Y., Morokuma, K., Voth, G.A., Salvador, P., Dannenberg, J.J., Zakrzewski, V.G., Dapprich, S., Daniels, A.D., Strain, M.C., Farkas, O., Malick, D.K., Rabuck, A.D., Raghavachari, K., Foresman, J.B., Ortiz, J.V., Cui, Q., Baboul, A.G., Clifford, S., Cioslowski, J., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Gonzalez, C., Pople, J.A.: Gaussian 03, Revision B.05. Gaussian, Pittsburgh, PA (2003)
32. Perdew, J.P., Burke, K., Wang, Y.: Phys. Rev. B 54, 16533-16539 (1996)
33. Perdew, J.P., Burke, K., Ernzerhof, M.: Phys. Rev. Lett. 78, 1396 (1997)
34. Adamo, C., Barone, V.: J. Chem. Phys. 110, 6158-6170 (1999)
35. Hinton, J.F., Wolinski, K., in: Hadži, D. (ed.) Theoretical Treatments of Hydrogen Bonding, pp. 75-95. Wiley, Chichester (1997)
36. Barone, V., Cossi, M., Tomasi, J.: J. Comput. Chem. 19, 404-417 (1998)
37. Cances, E., Mennucci, B., Tomasi, J.: J. Phys. Chem. 107, 3032-3041 (1997)
38. Liu, K., Cruzan, J.D., Saykally, R.J.: Science 271, 929-933 (1996)
39. Cruzan, J.D., Braly, L.B., Liu, K., Brown, M.G., Loeser, J.G., Saykally, R.J.: Science 271, 59-62 (1996)
40. Ceponkus, J., Nelander, B.: J. Phys. Chem. A 108, 6499-6502 (2004)
41. Ceponkus, J., Karlstrom, G., Nelander, B.: J. Phys. Chem. A 109, 7859-7864 (2005)
42. Bruker-Biospin: Almanac, p. 32. Bruker-Biospin, Rheinstetten (2005)
43. Nakahara, M., Wakai, C.: Chem. Lett. 809-812 (1992)
44. Hindman, J.C.: J. Chem. Phys. 44, 4582-4592 (1966)
45. Li, R., Jiang, Z., Shi, S., Yang, H.: J. Mol. Struct. 645, 69-75 (2003)
46. Clementi, E., Corongiu, G., in: Hadzi, D. (ed.) Theoretical Treatments of Hydrogen Bonding, pp. 264-293. Wiley, Chichester (1997)
47. Mennucci, B., Martinez, J.M., Tomasi, J.: J. Phys. Chem. A 105, 7287-7296 (2001)
48. Weinhold, F.: J. Chem. Phys. 109, 367-372 (1998)