TY - CONF A1 - Steiger, Thomas T1 - COMAR International database for certified reference materials - user possibilities T2 - FINAS (Finnish Accreditation Service), EURACHEM-Finnland, EUROLAB-Finnland Autumn Seminar 2003 on Reference Materials CY - Helsinki, Finland DA - 2003-11-10 PY - 2003 AN - OPUS4-3376 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steiger, Thomas A1 - Steudel, R. T1 - Sulphur compounds. Part 149. Structures, relative stabilities and vibrational spectra of several isomeric forms of sulphoxylic acid (H2SO2) and its anion (HSO2-): an ab initio study alpha PY - 1992 SN - 0022-2860 SN - 1872-8014 SN - 0377-046X SP - 313 EP - 323 PB - Elsevier CY - Amsterdam AN - OPUS4-4583 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Steiger, Thomas T1 - COMAR-The international database for certified reference materials T2 - MiC International Symposium on Metrology in Chemistery CY - Beijing, China DA - 2004-10-19 PY - 2004 AN - OPUS4-4682 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steiger, Thomas A1 - Pradel, Rita T1 - Update on COMAR - the Internet Database for Certified Reference Materials KW - COMAR database KW - Certified reference materials KW - CRM PY - 2004 SN - 0970-3950 VL - 19 IS - 4 SP - 203 EP - 207 PB - Metrology Society of India CY - New Delhi AN - OPUS4-5986 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gey, E. A1 - Steiger, Thomas T1 - Quantenchemische Berechnungen zur Addition von CH3 - xFx (X=0,...,3) an Ethen.I. - Semiempirische Untersuchungen mit der AM1-Methode PY - 1992 SN - 0941-1216 VL - 334 SP - 237 EP - 240 PB - Wiley-VCH Verl. CY - Weinheim AN - OPUS4-6062 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steiger, Thomas A1 - Pradel, Rita T1 - COMAR - status and user possibilities KW - COMAR database KW - Certified reference materials KW - CRM KW - Reference materials KW - RM KW - CITAC PY - 2005 SP - 9 EP - 11 CY - Jerusalem, Israel AN - OPUS4-7064 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Steiger, Thomas T1 - Update on COMAR - the international database for certified reference materials N2 - im Tagungsband ANACON 2005, Seite 189 T2 - ANAKON 2005 CY - Regensburg, Germany DA - 2005-03-15 PY - 2005 AN - OPUS4-7313 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pradel, Rita A1 - Steiger, Thomas A1 - Klich, Harry T1 - Availability of reference materials: COMAR the database for certified reference materials KW - COMAR KW - International database KW - Certified reference material (CRM) PY - 2003 DO - https://doi.org/10.1007/s00769-002-0562-z SN - 0949-1775 SN - 1432-0517 VL - 8 SP - 317 EP - 318 PB - Springer CY - Berlin AN - OPUS4-2628 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Drozdova, Y. A1 - Steudel, R. A1 - Hertwig, R. H. A1 - Koch, W. A1 - Steiger, Thomas T1 - Structures and Energies of Various Isomers of Dithionous Acid H2S2O4 and of Its Anion HS2O4 N2 - Ab initio molecular orbital calculations at various, correlated levels of theory have been performed on eight isomers of the [H,O4,S2]- anion and six forms of [H2,O4,S2]. For the former species, the hypothetical O3SSOH- (9) ion is identified as the lowest energy isomer using second-order Mller-Plesset perturbation theory or the CCSD(T) method, with the protonated dithionite ion, O2SSO2H- (6), being only marginally (less than 5 kJ mol-1 at 25 C) higher in energy. In contrast, the B3LYP density functional predicts a rather different order of relative stabilities, with O2SSO2H- (6) as the by far most stable ion. 6 is stable with respect to dissociation into SO2 and HOSO- or into SO2- and HOSO (which is more stable than HSO2). For the species of composition H2S2O4 the cagelike dithionous acid molecule (HO)O2SSO2(OH) (14) represents the global minimum at all four levels of theory. However, also for this species, the relative stabilities predicted by the B3LYP approach differ considerably from results obtained from the conventional wave function-based methods. 14 is stabilized by two very strong intramolecular hydrogen bonds (symmetry C2). The homolytic dissociation of 14 at the SS bond is strongly endothermic, but the molecule is unstable with respect to dissociation into H2SO2 and SO2. The harmonic wavenumbers and infrared intensities of the fundamental vibrations of 6 and 14 are given. PY - 1998 DO - https://doi.org/10.1021/jp972658d SN - 1089-5639 SN - 1520-5215 VL - 102 IS - 6 SP - 990 EP - 996 PB - Soc. CY - Washington, DC AN - OPUS4-2587 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Steiger, Thomas T1 - COMAR2 The International Database for Certified Reference Materials on the Internet T2 - GDCh-Jahrestagung Chemie 2003, 19. Seminar Aktivierungsanalyse CY - Munich, Germany DA - 2003-10-06 PY - 2003 AN - OPUS4-4764 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pradel, Rita A1 - Steiger, Thomas T1 - COMAR² The international database for certified reference materials on the internet T2 - 9th International Symposium on Biological and Environmental Reference Materials (BERM-9) CY - Berlin, Germany DA - 2003-06-15 PY - 2003 SN - 1618-2642 SN - 1618-2650 VL - 378 IS - 5 SP - 1 EP - 2(?) PB - Springer CY - Berlin AN - OPUS4-2563 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Steiger, Thomas T1 - COMAR - the international database for certified reference materials T2 - METCHEM Plenary Meeting CY - Vilnius, Lithuania DA - 2006-02-16 PY - 2006 AN - OPUS4-12069 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Steiger, Thomas T1 - COMAR - the international database for certified reference materials T2 - Analytica Conference 2006, Messe München CY - Munich, Germany DA - 2006-04-25 PY - 2006 AN - OPUS4-12341 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Steiger, Thomas T1 - COMAR - The international data base for certified reference materials T2 - CCQM Plenary Session CY - Sèvres, France DA - 2005-04-14 PY - 2005 AN - OPUS4-11662 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -