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IUPAC Technical Reports and Recommendations

PHYSICAL AND BIOPHYSICAL CHEMISTRY DIVISION

COMMISSION ON BIOPHYSICAL CHEMISTRY
COMMISSION ON CHEMICAL KINETICS
COMMISSION ON COLLOID AND SURFACE CHEMISTRY INCLUDING CATALYSIS
COMMISSION ON ELECTROCHEMISTRY
COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY
COMMISSION ON THERMODYNAMICS
SUBCOMMITTEE ON PLASMA CHEMISTRY
WORKING PARTY ON THEORETICAL AND COMPUTATIONAL CHEMISTRY

Robert D. Chirico, Vladimir Diky, Joseph W. Magee, Michael Frenkel and Kenneth N. Marsh
Thermodynamic and thermophysical properties of the reference ionic liquid: 1-Hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide (including mixtures). Part 2. Critical evaluation and recommended property values (IUPAC Technical Report)
Vol. 81, Issue 5, p. 791 [Details + Abstract] [Full text - pdf 553 kB]
Kenneth N. Marsh, Joan F. Brennecke, Robert D. Chirico, Michael Frenkel, Andreas Heintz, Joseph W. Magee, Cor J. Peters, Luis Paulo N. Rebelo and Kenneth R. Seddon
Thermodynamic and thermophysical properties of the reference ionic liquid: 1-Hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide (including mixtures). Part 1. Experimental methods and results (IUPAC Technical Report)
Vol. 81, Issue 5, p. 781 [Details + Abstract] [Full text - pdf 214 kB]
Frederick P. Schwarz, Timm Reinisch, Hans-Jürgen Hinz and Avadhesha Surolia
Recommendations on measurement and analysis of results obtained on biological substances using isothermal titration calorimetry (IUPAC Technical Report)
Vol. 80, Issue 9, p. 2025 [Details + Abstract] [Full text - pdf 356 kB]
Robin K. Harris, Edwin D. Becker, Sonia M. Cabral de Menezes, Pierre Granger, Roy E. Hoffman and Kurt W. Zilm
Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008)
Vol. 80, Issue 1, p. 59 [Details + Abstract] [Full text - pdf 316 kB]
John Ralston, Ian Larson, Mark W. Rutland, Adam A. Feiler and Mieke Kleijn
Atomic force microscopy and direct surface force measurements (IUPAC Technical Report)
Vol. 77, Issue 12, p. 2149 [Details + Abstract] [Full text - pdf 510 kB]
A. V. Delgado, F. González-Caballero, R. J. Hunter, L. K. Koopal and J. Lyklema
Measurement and Interpretation of Electrokinetic Phenomena (IUPAC Technical Report)
Vol. 77, Issue 10, p. 1753 [Details + Abstract] [Full text - pdf 522 kB]
S. Hatscher, H. Schilder, H. Lueken and W. Urland
Practical guide to measurement and interpretation of magnetic properties (IUPAC Technical Report)
Vol. 77, Issue 2, p. 497 [Details + Abstract] [Full text - pdf 305 kB]
Z. Samec
Electrochemistry at the interface between two immiscible electrolyte solutions (IUPAC Technical Report)
Vol. 76, Issue 12, p. 2147 [Details + Abstract] [Full text - pdf 622 kB]
M. Terazima, N. Hirota, S. E. Braslavsky, A. Mandelis, S. E. Bialkowski, G. J. Diebold, R. J. D. Miller, D. Fournier, R. A. Palmer and A. Tam
Quantities, terminology, and symbols in photothermal and related spectroscopies (IUPAC Recommendations 2004)
Vol. 76, Issue 6, p. 1083 [Details + Abstract] [Full text - pdf 365 kB]
R. P. Buck, S. Rondinini, A. K. Covington, F. G. K. Baucke, C. M. A. Brett, M. F. Camoes, M. J. T. Milton, T. Mussini, R. Naumann, K. W. Pratt, P. Spitzer and G. S. Wilson
Measurement of pH. Definition, standards, and procedures (IUPAC Recommendations 2002)
Vol. 74, Issue 11, p. 2169 [Details + Abstract] [Full text - pdf 317 kB]

COMMISSION ON BIOPHYSICAL CHEMISTRY

Hans-Jürgen Hinz and Frederick P. Schwarz
Measurement and analysis of results obtained on biological substances with differential scanning calorimetry (IUPAC Technical Report)
Vol. 73, Issue 4, p. 745 [Details + Abstract] [Full text - pdf 68 kB]

COMMISSION ON CHEMICAL KINETICS

K. J. Laidler
A glossary of terms used in chemical kinetics, including reaction dynamics (IUPAC Recommendations 1996)
Vol. 68, Issue 1, p. 149 [Details] [Full text - pdf 2194 kB]
J. Villermaux
Kinetics of composite reactions in closed and open flow systems (IUPAC Recommendations 1993)
Vol. 65, Issue 12, p. 2641 [Details] [Full text - pdf 513 kB]

COMMISSION ON COLLOID AND SURFACE CHEMISTRY INCLUDING CATALYSIS

L. B. McCusker, F. Liebau and G. Engelhardt
Nomenclature of structural and compositional characteristics of ordered microporous and mesoporous materials with inorganic hosts(IUPAC Recommendations 2001)
Vol. 73, Issue 2, p. 381 [Details + Abstract] [Full text - pdf 219 kB]
J. Haber, J. H. Block and B. Delmon
Manual of methods and procedures for catalyst characterization (Technical Report)
Vol. 67, Issue 8, p. 1257 [Details] [Full text - pdf 3212 kB]
J. Rouquerol, D. Avnir, C. W. Fairbridge, D. H. Everett, J. M. Haynes, N. Pernicone, J. D. F. Ramsay, K. S. W. Sing and K. K. Unger
Recommendations for the characterization of porous solids (Technical Report)
Vol. 66, Issue 8, p. 1739 [Details] [Full text - pdf 1367 kB]
L. Ter Minassian-Saraga
Thin films including layers: terminology in relation to their preparation and characterization (IUPAC Recommendations 1994)
Vol. 66, Issue 8, p. 1667 [Details] [Full text - pdf 3720 kB]
J. Haber
Manual on catalyst characterization (Recommendations 1991)
Vol. 63, Issue 9, p. 1227 [Details] [Full text - pdf 1441 kB]
J. Lyklema
Nomenclature, symbols, definitions and measurements for electrified interfaces in aqueous dispersions of solids (Recommendations 1991)
Vol. 63, Issue 6, p. 895 [Details] [Full text - pdf 740 kB]
D. H. Everett
Reporting data on adsorption from solution at the solid/solution interface (Recommendations 1986)
Vol. 58, Issue 7, p. 967 [Details] [Full text - pdf 362 kB]
L. Ter-Minassian-Saraga
Reporting experimental pressure-area data with film balances (Recommendations 1984)
Vol. 57, Issue 4, p. 621 [Details] [Full text - pdf 290 kB]
K. S. W. Sing
Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Recommendations 1984)
Vol. 57, Issue 4, p. 603 [Details] [Full text - pdf 291 kB]
M. Kerker and J. P. Kratohvil
Definitions, terminology and symbols in colloid and surface chemistry. Part 1.14: Light scattering (Provisional)
Vol. 55, Issue 6, p. 931 [Details] [Full text - pdf 206 kB]
K. S. W. Sing
Reporting physisorption data for gas/solid systems with special reference to the determination of surface area and porosity (Provisional)
Vol. 54, Issue 11, p. 2201 [Details] [Full text - pdf 342 kB]
L. Ter-Minassian-Saraga
Reporting experimental pressure-area data with film balances (Provisional)
Vol. 54, Issue 11, p. 2189 [Details] [Full text - pdf 198 kB]

COMMISSION ON ELECTROCHEMISTRY

W. Plieth, G. S. Wilson and C. GutiCrrez de la Fe
Erratum - Spectroelectrochemistry: A survey of in situ spectroscopic techniques (Technical Report)
Vol. 70, Issue 12, p. 2409 [Details] [Full text - pdf 235 kB]
W. Plieth, G. S. Wilson and C. Gutiérrez de la Fe
Spectroelectrochemistry: A survey of in situ spectroscopic techniques (Technical Report)
Vol. 70, Issue 7, p. 1395 [Details] [Full text - pdf 1363 kB]
C. P. Andrieux
Terminology and notations for multistep electrochemical reaction mechanisms (IUPAC Recommendations 1994)
Vol. 66, Issue 12, p. 2445 [Details] [Full text - pdf 362 kB]
M. Sluyters-Rehbach
Impedances of electrochemical systems: Terminology, nomenclature and representation - Part I: Cells with metal electrodes and liquid solutions (IUPAC Recommendations 1994)
Vol. 66, Issue 9, p. 1831 [Details] [Full text - pdf 1972 kB]
V. M. M. Lobo
Mutual diffusion coefficients in aqueous electrolyte solutions (Technical Report)
Vol. 65, Issue 12, p. 2613 [Details] [Full text - pdf 1209 kB]
G. Gritzner and G. Kreysa
Nomenclature, symbols and definitions in electrochemical engineering (IUPAC Recommendations 1993)
Vol. 65, Issue 5, p. 1009 [Details] [Full text - pdf 624 kB]
K. Tokuda and K. Niki
Kinetic parameters of the electrode reaction: 2 Cl- = 2 Cl2 + 2e- (Technical report)
Vol. 63, Issue 12, p. 1759 [Details] [Full text - pdf 971 kB]
S. Trasatti and O. A. Petrii
Real surface area measurements in electrochemistry
Vol. 63, Issue 5, p. 711 [Details] [Full text - pdf 1535 kB]
A. J. Bard, R. Memming and B. Miller
Terminology in semiconductor electrochemistry and photoelectrochemical energy conversion (Recommendations 1991)
Vol. 63, Issue 4, p. 569 [Details] [Full text - pdf 868 kB]
G. Gritzner
Polarographic half-wave potentials of cations in nonaqueous solvents
Vol. 62, Issue 9, p. 1839 [Details] [Full text - pdf 867 kB]
K. E. Heusler, D. Landolt and S. Trasatti
Electrochemical corrosion nomenclature (Recommendations 1988)
Vol. 61, Issue 1, p. 19 [Details] [Full text - pdf 258 kB]
S. Trasatti
The absolute electrode potential: an explanatory note (Recommendations 1986)
Vol. 58, Issue 7, p. 955 [Details] [Full text - pdf 381 kB]
S. Trasatti and R. Parsons
Interphases in systems of conducting phases (Recommendations 1985)
Vol. 58, Issue 3, p. 437 [Details] [Full text - pdf 485 kB]
G. Gritzner and J. Kuta
Recommendations on reporting electrode potentials in nonaqueous solvents (Recommendations 1983)
Vol. 56, Issue 4, p. 461 [Details] [Full text - pdf 131 kB]
S. Trasatti and R. Parsons
Interphases in systems of conducting phases (Provisional)
Vol. 55, Issue 8, p. 1251 [Details] [Full text - pdf 437 kB]
G. Gritzner and J. Kuta
Recommendations on reporting electrode potentials in nonaqueous solvents (Provisional)
Vol. 54, Issue 8, p. 1527 [Details] [Full text - pdf 163 kB]
N. Ibl
Nomenclature for transport phenomena in electrolytic systems
Vol. 53, Issue 10, p. 1827 [Details] [Full text - pdf 255 kB]
Electrode reaction orders, transfer coefficients and rate constants. Amplification of definitions and recommendations for publication of parameters
Vol. 52, Issue 1, p. 233 [Details] [Full text - pdf 413 kB]

COMMISSION ON MOLECULAR STRUCTURE AND SPECTROSCOPY

Rudolf Janoschek
Quantum chemical B3LYP/cc-pvqz computation of ground-state structures and properties of small molecules with atoms of Z ≤ 18 (hydrogen to argon)(IUPAC Technical Report)
Vol. 73, Issue 9, p. 1521 [Details + Abstract] [Full text - pdf 356 kB]
J. E. Bertie
Specification of components, methods and parameters in Fourier transform spectroscopy by Michelson and related interferometers (Technical Report)
Vol. 70, Issue 10, p. 2039 [Details] [Full text - pdf 482 kB]
J. E. Boggs
Guidelines for presentation of methodological choices in the publication of computational results. A. Ab initio electronic structure calculations (IUPAC Recommendations 1998)
Vol. 70, Issue 4, p. 1015 [Details] [Full text - pdf 274 kB]
R. K. Harris, J. Kowalewski and S. Cabral de Menezes
Parameters and symbols for use in nuclear magnetic resonance (IUPAC Recommendations 1997)
Vol. 69, Issue 12, p. 2489 [Details] [Full text - pdf 380 kB]
P. R. Bunker, C. J. H. Schutte, J. T. Hougen, I. M. Mills, J. K. G. Watson and B. P. Winnewisser
Notations and conventions in molecular spectroscopy: Part 3. Permutation and permutation-inversion symmetry notation (IUPAC Recommendations 1997)
Vol. 69, Issue 8, p. 1651 [Details] [Full text - pdf 352 kB]
C. J. H. Schutte, J. E. Bertie, P. R. Bunker, J. T. Hougen, I. M. Mills, J. K. G. Watson and B. P. Winnewisser
Notations and conventions in molecular spectroscopy: Part 2. Symmetry notation (IUPAC Recommendations 1997)
Vol. 69, Issue 8, p. 1641 [Details] [Full text - pdf 428 kB]
C. J. H. Schutte, J. E. Bertie, P. R. Bunker, J. T. Hougen, I. M. Mills, J. K. G. Watson and B. P. Winnewisser
Notations and conventions in molecular spectroscopy: Part 1. General spectroscopic notation (IUPAC Recommendations 1997)
Vol. 69, Issue 8, p. 1633 [Details] [Full text - pdf 327 kB]
A. M. Bradshaw and N. V. Richardson
Symmetry, selection rules and nomenclature in surface spectroscopies (IUPAC Recommendations 1996)
Vol. 68, Issue 2, p. 457 [Details] [Full text - pdf 731 kB]
G. Guelachvili, M. Birk, Ch. J. Bordé, J. W. Brault, L. R. Brown, B. Carli, A. R. H. Cole, K. M. Evenson, A. Fayt, D. Hausamann, J. W. C. Johns, J. Kauppinen, Q. Kou, A. G. Maki, K. Narahari Rao, R. A. Toth, W. Urban, A. Valentin, J. Verges, G. Wagner, M. H. Wappelhorst, J. S. Wells, B. P. Winnewisser and M. Winnewisser
High resolution wavenumber standards for the infrared (Technical Report)
Vol. 68, Issue 1, p. 193 [Details] [Full text - pdf 897 kB]
E. Hirota, J. M. Brown, J. T. Hougen, T. Shida and N. Hirota
Symbols for fine and hyperfine structure parameters (IUPAC Recommendations 1994)
Vol. 66, Issue 3, p. 571 [Details] [Full text - pdf 277 kB]
J. G. Grasselli
JCAMP-DX, a standard format for exchange of infrared spectra in computer readable form (Recommendations 1991)
Vol. 63, Issue 12, p. 1781 [Details] [Full text - pdf 695 kB]
J. F. J. Todd
Recommendations for nomenclature and symbolism for mass spectroscopy (including an appendix of terms used in vacuum technology). (Recommendations 1991)
Vol. 63, Issue 10, p. 1541 [Details] [Full text - pdf 1848 kB]
N. Sheppard
English-derived abbreviations for experimental techniques in surface science and chemical spectroscopy (Recommendations 1991)
Vol. 63, Issue 6, p. 887 [Details] [Full text - pdf 385 kB]
M. Gussoni, G. Zerbi and W. Person
Presentation of molecular parameter values for infrared and Raman intensity measurements (Recommendations 1988)
Vol. 60, Issue 9, p. 1385 [Details] [Full text - pdf 231 kB]
H. Q. Porter and D. W. Turner
A descriptive classification of the electron spectroscopies (Recommendations 1987)
Vol. 59, Issue 10, p. 1343 [Details] [Full text - pdf 1040 kB]
J. G. Grasselli
Specifications for infrared reference spectra of molecules in the vapor phase (Recommendations 1987)
Vol. 59, Issue 5, p. 673 [Details] [Full text - pdf 178 kB]
M. Tasumi and M. Nakata
Test data for normal coordinate calculations
Vol. 57, Issue 1, p. 121 [Details] [Full text - pdf 288 kB]
E. D. Becker, J. R. Durig, W. C. Harris and G. J. Rosasco
Presentation of Raman spectra in data collections
Vol. 53, Issue 10, p. 1879 [Details] [Full text - pdf 132 kB]
Definition and symbolism of molecular force constants
Vol. 50, Issue 11, p. 1707 [Details] [Full text - pdf 153 kB]
Recommendations for the presentation of infrared absorption spectra in data collections - A. Condensed phases
Vol. 50, Issue 3, p. 231 [Details] [Full text - pdf 90 kB]
Recommendations for symbolism and nomenclature for mass spectroscopy
Vol. 50, Issue 1, p. 65 [Details] [Full text - pdf 165 kB]
Nomenclature and Spectral Presentation in Electron Spectroscopy Resulting from Excitation by Photons
Vol. 45, Issue 3, p. 221 [Details] [Full text - pdf 56 kB]
Presentation of NMR Data for Publication in Chemical Journals - B. Conventions Relating to Spectra from Nuclei Other than Protons
Vol. 45, Issue 3, p. 217 [Details] [Full text - pdf 44 kB]
Nomenclature and Conventions for Reporting Mossbauer Spectroscopic Data
Vol. 45, Issue 3, p. 211 [Details] [Full text - pdf 117 kB]
Recommendations for the Presentation of Raman Spectra for Cataloging and Documentation in Permanent Data Collections
Vol. 36, Issue 1, p. 275 [Details] [Full text - pdf 66 kB]
A. R. H. Cole, R. N. Jones and R. C. Lord
Tables of Wavenumbers for the Calibration of Infrared Spectrometers, Parts III and IV: 600 - 1 cm-1
Vol. 33, Issue 4, p. 605 [Details] [Full text - pdf 720 kB]

COMMISSION ON THERMODYNAMICS

Giuseppe Della Gatta, Michael J. Richardson, Stefan M. Sarge and Svein Stølen
Standards, calibration, and guidelines in microcalorimetry. Part 2. Calibration standards for differential scanning calorimetry* (IUPAC Technical Report)
Vol. 78, Issue 7, p. 1455 [Details + Abstract] [Full text - pdf 402 kB]
Ingemar Wadsö and Robert N. Goldberg
Standards in isothermal microcalorimetry (IUPAC Technical Report)
Vol. 73, Issue 10, p. 1625 [Details + Abstract] [Full text - pdf 207 kB]
Robert A. Alberty
Use of Legendre transforms in chemical thermodynamics (IUPAC Technical Report)
Vol. 73, Issue 8, p. 1349 [Details + Abstract] [Full text - pdf 398 kB]
A. Bolz, U. K. Deiters, C. J. Peters and T. W. de Loos
Nomenclature for phase diagrams with particular reference to vapour–liquid and liquid–liquid equilibria (Technical report)
Vol. 70, Issue 11, p. 2233 [Details] [Full text - pdf 1305 kB]
U. K. Deiters and K. M. de Reuck
Guidelines for publication of equations of state I. Pure fluids (Technical Report)
Vol. 69, Issue 6, p. 1237 [Details] [Full text - pdf 736 kB]
J. H. Dymond
Vapour-liquid equilibria in alkan-1-ol + n-alkane mixtures (Technical Report)
Vol. 66, Issue 3, p. 553 [Details] [Full text - pdf 885 kB]
M. B. Ewing, T. H. Lilley, G. M. Olofsson, M. T. Ratzsch and G. Somsen
Standard quantities in chemical thermodynamics. Fugacities, activities and equilibrium constants for pure and mixed phases (IUPAC Recommendations 1994)
Vol. 66, Issue 3, p. 533 [Details] [Full text - pdf 1041 kB]
R. N. Goldberg and R. D. Weir
Conversion of temperatures and thermodynamic properties to the basis of the International Temperature Scale of 1990 (Technical Report)
Vol. 64, Issue 10, p. 1545 [Details] [Full text - pdf 1031 kB]
J. D. Cox
Notation for states and processes, significance of the word standard in chemical thermodynamics, and remarks on commonly tabulated forms of thermodynamic functions
Vol. 54, Issue 6, p. 1239 [Details] [Full text - pdf 226 kB]
Assignment and presentation of uncertainties of the numerical results of thermodynamic measurements (Provisional)
Vol. 53, Issue 9, p. 1805 [Details] [Full text - pdf 472 kB]
Manual of symbols and terminology for physicochemical quantities and units. Appendix IV: Notation for states and processes, significance of the word standard in chemical thermodynamics, and remarks on functions used in thermodynamics tables
Vol. 51, Issue 2, p. 393 [Details] [Full text - pdf 162 kB]

SUBCOMMITTEE ON PLASMA CHEMISTRY

Thermodynamic and transport properties of pure and mixed thermal plasmas at local thermodynamic equilibrium (LTE)
Vol. 54, Issue 6, p. 1221 [Details] [Full text - pdf 356 kB]

WORKING PARTY ON THEORETICAL AND COMPUTATIONAL CHEMISTRY

R. D. Brown, J. E. Boggs, R. Hilderbrandt, K. Lim, I. M. Mills, E. Nikitin and M. H. Palmer
Acronyms used in theoretical chemistry
Vol. 68, Issue 2, p. 387 [Details] [Full text - pdf 3922 kB]