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2006, Vol. 78, Issue 3

Special topic article

How to access structure and dynamics of solutions: The capabilities of computational methods (Special Topic Article)
Bernd M. Rode and Thomas S. Hofer
p. 525 [Details + Abstract] [Full text - pdf 1675 kB]

IUPAC Technical Reports and Recommendations

XML-based IUPAC standard for experimental, predicted, and critically evaluated thermodynamic property data storage and capture (ThermoML) (IUPAC Recommendations 2006)
Michael Frenkel, Robert D. Chiroco, Vladimir Diky, Qian Dong, Kenneth N. Marsh, John H. Dymond, William A. Wakeham, Stephen E. Stein, Erich Königsberger and Anthony R. H. Goodwin
p. 541 [Details + Abstract] [Full text - pdf 1490 kB]
JCAMP-DX for electron magnetic resonance (EMR) (IUPAC Recommendations 2006)
Richard Cammack, Yang Fann, Robert J. Lancashire, John P. Maher, Peter S. McIntyre and Reef Morse
p. 613 [Details + Abstract] [Full text - pdf 178 kB]
Uncertainty estimation and figures of merit for multivariate calibration (IUPAC Technical Report)
Alejandro C. Olivieri, Nicolaas M. Faber, Joan Ferré, Ricard Boqué, John H. Kalivas and Howard Mark
p. 633 [Details + Abstract] [Full text - pdf 645 kB]
Guidelines for NMR measurements for determination of high and low pKa values (IUPAC Technical Report)
Konstantin Popov, Hannu Rönkkömäki and Lauri H. J. Lajunen
p. 663 [Details + Abstract] [Full text - pdf 245 kB]
Guidelines for terminology for microtechnology in clinical laboratories (IUPAC Technical Report)
Peter Wilding, Thomas Joos, Larry J. Kricka and Leming Shi
p. 677 [Details + Abstract] [Full text - pdf 336 kB]