Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica, Section B' volume of publication is 55
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1009025 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 3.999; 3.999; 4.12 90; 90; 90 | 65.9 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
1009026 | CIF | Hf0.4 O3 Pb Ti0.6 | P 4 m m | 4.012; 4.012; 4.1 90; 90; 90 | 66 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
1009027 | CIF | Hf0.4 O3 Pb Ti0.6 | P m -3 m | 4.046; 4.046; 4.046 90; 90; 90 | 66.2 | Muller, C; Baudour, J-L; Madigou, V; Bouree, F; Kiat, J-M; Favotto, C; Roubin, M Temperature-dependent neutron powder diffraction evidence for splitting of the cationic sites in the ferroelectric Pb Hf0.4 Ti0.6 O3 Acta Crystallographica B (39,1983-), 1999, 55, 8-16 |
2002906 | CIF Paper | C6 H17 I3 N2 O11 | P 1 21 1 | 8.36; 6.33; 14.75 90; 92.86; 90 | 779.6 | A. M. Petrosyan; R. P. Sukiasyan; S. S. Terzyan; V. M. Burbelo Interaction of lysine with iodic acid Acta Crystallographica Section B, 1999, 55, 221-225 |
2002915 | CIF HKL Paper | C13 H19 N O5 | P 21 21 21 | 7.235; 13.056; 14.415 90; 90; 90 | 1361.6 | Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data Acta Crystallographica Section B, 1999, 55, 226-230 |
2002916 | CIF HKL Paper | C13 H19 N O5 | P 21 21 21 | 7.3827; 13.1421; 14.515 90; 90; 90 | 1408.31 | Slimane Dahaoui; Christian Jelsch; Judith A. K. Howard; Claude Lecomte Charge density study of <i>N</i>-acetyl-<small>L</small>-tyrosine ethyl ester monohydrate derived from CCD area detector data Acta Crystallographica Section B, 1999, 55, 226-230 |
2002917 | CIF Paper | C7 H11 N5 O2 | P 1 21/n 1 | 7.4889; 17.273; 7.4073 90; 111.937; 90 | 888.8 | Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A. Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data Acta Crystallographica Section B, 1999, 55, 554-562 |
2002918 | CIF Paper | C6 H8 N6 O5 | P 1 21/n 1 | 17.576; 10.9; 4.6738 90; 92.867; 90 | 894.3 | Chernyshev, Vladimir V.; Fitch, Andrew N.; Sonneveld, Eduard J.; Kurbakov, Alexander I.; Makarov, Vadim A.; Tafeenko, Victor A. Crystal and molecular structures of 2-[1-(2-aminoethyl)-2-imidazolidinylidene]-2-nitroacetonitrile (C~7~H~11~N~5~O~2~) and 2,6-diamino-5-hydroxy-3-nitro-4<i>H</i>-pyrazolo[1,5-<i>a</i>]pyrimidin-7-one monohydrate (C~6~H~6~N~6~O~4~·H~2~O) from X-ray, synchrotron and neutron powder diffraction data Acta Crystallographica Section B, 1999, 55, 554-562 |
2002925 | CIF HKL Paper | Be F4 H8 N2 | P n m a | 7.531; 5.874; 10.399 90; 90; 90 | 460 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B, 1999, 55, 17-23 |
2002926 | CIF HKL Paper | Be F4 H8 N2 | P n a 21 | 15.017; 5.876; 10.418 90; 90; 90 | 919.3 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B, 1999, 55, 17-23 |
2002927 | CIF HKL Paper | Be F4 H8 N2 | P n a 21 | 14.997; 5.86; 10.402 90; 90; 90 | 914.2 | Srivastava, R. C.; Klooster, W. T.; Koetzle, T. F. Neutron structures of ammonium tetrafluoroberyllate Acta Crystallographica Section B, 1999, 55, 17-23 |
2002928 | CIF Paper | C12 H12 | P b c a | 7.4544; 6.0826; 20.0946 90; 90; 90 | 911.13 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
2002929 | CIF Paper | C12 H8 O4 | P -1 | 3.7061; 7.4688; 8.535 86.62; 85.49; 87.99 | 235 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
2002930 | CIF Paper | C14 H12 O4 | P 1 21/c 1 | 13.41931; 6.14869; 7.15257 90; 100.4; 90 | 580.471 | Kaduk, J.A.; Golab, J.T. Structures of 2,6-disubstituted naphthalenes Acta Crystallographica Section B, 1999, 55, 85-94 |
2002932 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 11.397; 8.871; 7.222 90; 95.12; 90 | 727.3 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
2002933 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 11.554; 8.926; 7.31 90; 96.1; 90 | 749.6 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
2002934 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | P 1 21/n 1 | 7.0679; 11.7502; 9.0114 90; 98.563; 90 | 740.05 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
2002935 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | P 1 21/n 1 | 7.1739; 11.8351; 9.0639 90; 98.35; 90 | 761.4 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
2002936 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 7.2233; 9.0549; 11.57 90; 95.315; 90 | 753.5 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
2002937 | CIF HKL Paper | C6 H2 Cl2 N2 O2 | C 1 2/c 1 | 7.293; 9.061; 11.618 90; 96.12; 90 | 763.4 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
2002938 | CIF HKL Paper | C8 H2 Cl2 O3 | C 1 2/c 1 | 11.987; 8.994; 7.423 90; 92.91; 90 | 799.2 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
2002939 | CIF Paper | C8 H2 Br2 O3 | C -1 | 12.923; 9.209; 7.628 105.08; 99.2; 81.29 | 859.5 | Ojala, Charles R.; Ojala, William H.; Britton, Doyle; Gougoutas, J. Z. Packing similarities of three isosteric molecules: 4,5-dichlorophthalic anhydride, 4,5-dibromophthalic anhydride and 5,6-dichlorobenzfurazan 1-oxide, including three polymorphs of 5,6-dichlorobenzfurazan 1-oxide Acta Crystallographica Section B, 1999, 55, 530-542 |
2002940 | CIF Paper | C12 H7 K O3 S | P b c a | 10.76; 7.74; 27.145 90; 90; 90 | 2260.7 | Craven, B. M.; Ballas, F. L. Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate Acta Crystallographica Section B, 1999, 55, 375-379 |
2002942 | CIF Paper | Na Nb O3 | C m c m | 7.85758; 7.86793; 7.8765 90; 90; 90 | 486.948 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
2002943 | CIF Paper | Na O3 Ta | C m c m | 7.83729; 7.84887; 7.85728 90; 90; 90 | 483.332 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
2002944 | CIF Paper | Na Nb O3 | P 4/m b m | 5.56896; 5.56896; 3.94408 90; 90; 90 | 122.319 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
2002945 | CIF Paper | Na O3 Ta | P 4/m b m | 5.55465; 5.55465; 3.93426 90; 90; 90 | 121.388 | Darlington, C. N. W.; Knight, K. S. High-temperature phases of NaNbO~3~ and NaTaO~3~ Acta Crystallographica Section B, 1999, 55, 24-30 |
2002946 | CIF Paper | C5 H8 N2 | P -1 | 14.417; 12.02; 12.042 119.99; 105.991; 87.224 | 1727.4 | Infantes, L.; Foces-Foces, C.; Elguero,J. 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis Acta Crystallographica Section B, 1999, 55, 441-447 |
2002947 | CIF HKL Paper | C6 H10 N2 | I 1 2/a 1 | 14.1911; 8.252; 16.7382 90; 90.696; 90 | 1960 | Infantes, L.; Foces-Foces, C.; Elguero,J. 3(5),4-Dimethyl- and 3,4,5-trimethylpyrazole at 200K. X-ray crystallography and quantum-chemical analysis Acta Crystallographica Section B, 1999, 55, 441-447 |
2002948 | CIF | O8 W2 Zr | P 21 3 | 9.179989; 9.179989; 9.179989 90; 90; 90 | 773.6 | Evans, J. S. O.; David, W. I. F.; Sleight, A. W. Structural investigation of the negative-thermal-expansion material ZrW~2~O~8~ Acta Crystallographica, Section B, 1999, 55, 333-340 |
2002949 | CIF Paper | Co0.2 H2 Na O5 P Zn0.8 | P 65 2 2 | 10.464; 10.464; 15.056 90; 90; 120 | 1427.7 | Madeleine Helliwell Determination of the site of incorporation of cobalt in CoZnPO-CZP by multiple-wavelength anomalous-dispersion crystallography Acta Crystallographica Section B, 1999, 55, 327-332 |
2002953 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0971; 9.0971; 9.0971 90; 90; 90 | 752.85 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002954 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0854; 9.0854; 9.0854 90; 90; 90 | 749.95 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002955 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0857; 9.0857; 9.0857 90; 90; 90 | 750.02 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002956 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0813; 9.0813; 9.0813 90; 90; 90 | 748.93 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002957 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0809; 9.0809; 9.0809 90; 90; 90 | 748.84 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002958 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0814; 9.0814; 9.0814 90; 90; 90 | 748.96 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002959 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0839; 9.0839; 9.0839 90; 90; 90 | 749.58 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002960 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0771; 9.0771; 9.0771 90; 90; 90 | 747.9 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002961 | CIF Paper | Co1.26 Fe2.74 La0.743 Sb12 | I m -3 | 9.0762; 9.0762; 9.0762 90; 90; 90 | 747.67 | Chakoumakos, Bryan C.; Sales, Brian C.; Mandrus, David; Keppens, Veerle Disparate atomic displacements in skutterudite-type LaFe~3~CoSb~12~, a model for thermoelectric behavior Acta Crystallographica Section B, 1999, 55, 341-347 |
2002962 | CIF Paper | C H8 F6 N4 Si | P c c n | 10.4232; 17.6675; 7.5363 90; 90; 90 | 1387.82 | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate Acta Crystallographica Section B, 1999, 55, 246-254 |
2002963 | CIF Paper | C2 H18 F6 N8 O2 Si | P -1 | 6.5124; 6.6952; 8.0215 70.723; 82.745; 89.243 | 327.348 | Ross II, Charles R.; Bauer, M.R.; Nielson, R.M; Abrahams, S.C. Anhydrous ammonioguanidinium(2+) and dihydrated bis[aminoguanidinium(1+)] hexafluorosilicates: new co-products of preparing ferroelectric ammonioguanidinium(2+) hexafluorozirconate Acta Crystallographica Section B, 1999, 55, 246-254 |
2002964 | CIF | Cs3 H3.5 O12 P0.5 S2.5 | C 1 2/c 1 | 19.769; 7.685; 8.858 90; 100.6; 90 | 1322.8 | Acta Crystallographica, Section B, 1999, 55, 285-296 |
2002965 | CIF | Cs3 H3.5 O12 P0.5 S2.5 | C 1 2/c 1 | 19.769; 7.685; 8.858 90; 100.6; 90 | 1322.8 | Acta Crystallographica, Section B, 1999, 55, 285-296 |
2002966 | CIF Paper | C2 H2 F3 N O | P 21 21 21 | 4.547; 5.947; 14.731 90; 90; 90 | 398.3 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
2002967 | CIF Paper | C3 H4 F3 N O | P 1 21/n 1 | 4.807; 16.707; 6.708 90; 109.9; 90 | 506.55 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
2002968 | CIF Paper | C3 H2 F3 N | P 21 21 21 | 5.668; 9.266; 8.626 90; 90; 90 | 453 | Perpetuo, Genivaldo; Buschmann, Jürgen; Luger, Peter; Lentz, Dieter; Dreissig, D. Low-temperature crystallization and structure determination of <i>N</i>-(trifluoromethyl)formamide, <i>N</i>-(2,2,2-trifluoroethyl)formamide and 2,2,2-trifluoroethyl isocyanide Acta Crystallographica Section B, 1999, 55, 70-77 |
2002971 | CIF HKL Paper | C28 H24 N2 O8 S2 | P 1 21/a 1 | 8.3506; 18.0102; 9.636 90; 110.869; 90 | 1354.1 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
2002972 | CIF HKL Paper | C22 H18 N2 O4 S | P 1 21/n 1 | 7.5765; 23.9154; 11.225 90; 105.921; 90 | 1955.9 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
2002973 | CIF HKL Paper | C24 H20 N2 O4 S | P -1 | 7.3981; 12.7472; 13.0006 115.037; 102.398; 94.239 | 1065.9 | Ferguson, George; Glidewell, Christopher; Gregson, Richard M.; Lavender, Emma S. Crystal engineering using bisphenols: interwoven ladders, sheet and framework structures in the binary adducts of 4,4'-sulfonyldiphenol with pyrazine (2/1), 4,4'-bipyridyl (1/1), <i>trans</i>-1,2-bis(4-pyridyl)ethene (1/1), 1,2-bis(4-pyridyl)ethane (1/1) and 4,4'-trimethylenedipyridine (1/1), and in 4,4'-sulfonyldiphenol‒4,4'-trimethylenedipiperidine‒water (2/2/1) Acta Crystallographica, Section B: Structural Science, 1999, 55, 573-590 |
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