Crystallography Open Database

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Searching journal of publication like 'Physical chemistry chemical physics : PCCP' volume of publication is 13

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7205528 CIFC19 H24 N5 O40 P W12C 1 2/c 123.5058; 14.3158; 16.6984
90; 119.933; 90
4869.6Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude
Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.
Physical chemistry chemical physics : PCCP, 2011, 13, 322-327
7205529 CIFC15 H18 N3 O40 P W12P 1 21/n 112.216; 14.035; 12.988
90; 98.045; 90
2204.9Pichon, Céline; Mialane, Pierre; Marrot, Jérôme; Binet, Claude; Vimont, Alexandre; Travert, Arnaud; Lavalley, Jean-Claude
Combined XRD and infrared studies of pyridinium species in (PyH)(3)[PW(12)O(40)] single crystals.
Physical chemistry chemical physics : PCCP, 2011, 13, 322-327
7205530 CIFC13 H6 N4 O4 S4P 1 21/n 112.8201; 16.9483; 14.7822
90; 90.024; 90
3211.9Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis
Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.
Physical chemistry chemical physics : PCCP, 2011, 13, 2857-2869
7205531 CIFC12 H5 N5 O2 S6P -17.5426; 9.0675; 13.3535
75.171; 76.615; 73.739
834.88Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis
Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.
Physical chemistry chemical physics : PCCP, 2011, 13, 2857-2869
7205532 CIFC7 H2 N4 O4P 1 21/c 19.8632; 8.1924; 10.8
90; 111.484; 90
812Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis
Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.
Physical chemistry chemical physics : PCCP, 2011, 13, 2857-2869
7205533 CIFC27 H15 N6 S6P 1 21/c 15.8286; 22.7537; 19.7775
90; 94.418; 90
2615.14Kurach, Ewa; Djurado, David; Rimarčik, Jan; Kornet, Aleksandra; Wlostowski, Marek; Lukeš, Vladimir; Pécaut, Jacques; Zagorska, Malgorzata; Pron, Adam
Effect of substituents on redox, spectroscopic and structural properties of conjugated diaryltetrazines-a combined experimental and theoretical study.
Physical chemistry chemical physics : PCCP, 2011, 13, 2690-2700
7205534 CIFC14 H14 O3P 1 21 17.7354; 5.7181; 13.3641
90; 93.737; 90
589.86King, Matthew D.; Buchanan, William D.; Korter, Timothy M.
Application of London-type dispersion corrections to the solid-state density functional theory simulation of the terahertz spectra of crystalline pharmaceuticals.
Physical chemistry chemical physics : PCCP, 2011, 13, 4250-4259
7205897 CIFC15 H8 Ba O6P 16.7676; 7.2311; 14.1591
82.763; 84.102; 66.047
627.17Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.
Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.
Physical chemistry chemical physics : PCCP, 2011, 13, 7622-7629
7205898 CIFC15 H12 Cd O8P 1 21/c 17.7123; 28.5057; 6.6459
90; 105.05; 90
1410.95Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.
Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.
Physical chemistry chemical physics : PCCP, 2011, 13, 7622-7629
7205899 CIFC15 H10 Mn O7C 1 2/c 126.943; 7.2476; 6.9261
90; 97.703; 90
1340.27Furman, Joshua D.; Melot, Brent C.; Teat, Simon J.; Mikhailovsky, Alexander A.; Cheetham, Anthony K.
Towards enhanced ligand-centred photoluminescence in inorganic-organic frameworks for solid state lighting.
Physical chemistry chemical physics : PCCP, 2011, 13, 7622-7629
7205900 CIFC18 H26 Ni2 Si2C 1 2/c 118.1708; 6.5265; 17.4683
90; 116.771; 90
1849.55Kamiński, Radosław; Herbaczyńska, Beata; Srebro, Monika; Pietrzykowski, Antoni; Michalak, Artur; Jerzykiewicz, Lucjan B.; Woźniak, Krzysztof
On the nature of NiNi interaction in a model dimeric Ni complex.
Physical chemistry chemical physics : PCCP, 2011, 13, 10280-10284
7205901 CIFC57 H70 N6 O20P -111.932; 16.268; 16.358
77.24; 72.99; 72.58
2866Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.
Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.
Physical chemistry chemical physics : PCCP, 2011, 13, 6423-6433
7205902 CIFC108 H118 N12 O33P 1 21/n 116.375; 27.574; 23.898
90; 109.868; 90
10148Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.
Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.
Physical chemistry chemical physics : PCCP, 2011, 13, 6423-6433
7205903 CIFC34 H37 N3 O8P 1 21/c 113.471; 18.802; 12.373
90; 95.42; 90
3119.8Nowicka, Katarzyna; Bujacz, Anna; Paluch, Piotr; Sobczuk, Adam; Jeziorna, Agata; Ciesielski, Włodzimierz; Bujacz, Grzegorz D.; Jurczak, Janusz; Potrzebowski, Marek J.
Study of host-guest interactions in benzodiazacoronands by means of solid state NMR spectroscopy, X-ray diffraction and quantum mechanical computations.
Physical chemistry chemical physics : PCCP, 2011, 13, 6423-6433
7205904 CIFC99 H99 Bi8 I33 N18P n m a24.862; 31.758; 20.555
90; 90; 90
16230Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping
Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.
Physical chemistry chemical physics : PCCP, 2011, 13, 5659-5667
7205905 CIFC36 H39 Bi2.67 I11 N6P n m a8.4498; 31.165; 21.534
90; 90; 90
5670.7Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping
Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.
Physical chemistry chemical physics : PCCP, 2011, 13, 5659-5667
7205906 CIFC14 H18 Bi2 I8 N2P b c a20.254; 11.741; 25.352
90; 90; 90
6029Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Wang, Hui-Fang; Lang, Jian-Ping
Iodobismuthates with N-alkyl- or N,N'-dialkyl-4,4'-bipyridinium: syntheses, structures and dielectric properties.
Physical chemistry chemical physics : PCCP, 2011, 13, 5659-5667
7206030 CIFC96 H216 Mo24 N6 O79 S2P 1 21/n 122.2013; 30.4426; 24.1244
90; 91.274; 90
16300.8Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy
Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.
Physical chemistry chemical physics : PCCP, 2011, 13, 7295-7297
7206031 CIFC96 H216 Mo24 N6 O79 S2P 1 21/n 122.0259; 29.9732; 23.9492
90; 90.628; 90
15810Tsunashima, Ryo; Long, De-Liang; Endo, Toru; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Cabrera, Raul Quesada; McMillan, Paul F.; Kögerler, Paul; Cronin, Leroy
Exploring the thermochromism of sulfite-embedded polyoxometalate capsules.
Physical chemistry chemical physics : PCCP, 2011, 13, 7295-7297
7206032 CIFC16 H22 Cu I3 N2P 1 21/c 112.469; 11.529; 14.906
90; 91.38; 90
2142.2Chen, Yang; Yang, Zhou; Wu, Xin-Yi; Ni, Chun-Yan; Ren, Zhi-Gang; Lang, Jian-Ping
Dielectric anisotropy of the single crystal of isopropylviologen copper(i) triiodide.
Physical chemistry chemical physics : PCCP, 2011, 13, 10781-10786
7206161 CIFC H2 OP -4 21 c8.7411; 8.7411; 4.474
90; 90; 90
341.84Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.
Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.
Physical chemistry chemical physics : PCCP, 2011, 13, 14076-14091
7206162 CIFC2 H5 N OP 1 21/c 18.7855; 8.5307; 8.6148
90; 90.207; 90
645.64Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.
Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.
Physical chemistry chemical physics : PCCP, 2011, 13, 14076-14091
7206163 CIFC3 H4 OP b c a7.134; 9.694; 9.93
90; 90; 90
686.7Thakur, Tejender S.; Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.
Nature and strength of C-HO interactions involving formyl hydrogen atoms: computational and experimental studies of small aldehydes.
Physical chemistry chemical physics : PCCP, 2011, 13, 14076-14091
7206343 CIFC17 H18 N2 O2 SP -17.4105; 8.9753; 12.2407
94.259; 94.526; 100.2
795.54Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William
Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.
Physical chemistry chemical physics : PCCP, 2011, 13, 12808-12816
7206344 CIFC17 H18 N2 O2 SP -17.3605; 8.9292; 12.2136
94.491; 94.715; 100.07
784.16Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William
Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.
Physical chemistry chemical physics : PCCP, 2011, 13, 12808-12816
7206346 CIFC17 H18 N2 O2 SP -18.8708; 12.1901; 14.6128
94.97; 100.217; 95.036
1540.67Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William
Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.
Physical chemistry chemical physics : PCCP, 2011, 13, 12808-12816
7206347 CIFC17 H18 N2 O3 SP 1 21/n 110.6987; 12.4986; 11.9748
90; 91.067; 90
1600.98Cruz-Cabeza, Aurora J; Day, Graeme M.; Jones, William
Structure prediction, disorder and dynamics in a DMSO solvate of carbamazepine.
Physical chemistry chemical physics : PCCP, 2011, 13, 12808-12816
7206434 CIFC14 H10 N4P -16.7837; 8.7711; 10.7042
75.951; 71.904; 77.94
581.1Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek
Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.
Physical chemistry chemical physics : PCCP, 2011, 13, 15854-15864
7206435 CIFC13 H9 N5P 21 21 214.9475; 10.0332; 21.929
90; 90; 90
1088.5Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek
Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.
Physical chemistry chemical physics : PCCP, 2011, 13, 15854-15864
7206436 CIFC13 H13 N5C 1 2/c 121.133; 8.8277; 13.0345
90; 96.616; 90
2415.5Standara, Stanislav; Bouzková, Kateřina; Straka, Michal; Zacharová, Zuzana; Hocek, Michal; Marek, Jaromír; Marek, Radek
Interpretation of substituent effects on (13)C and (15)N NMR chemical shifts in 6-substituted purines.
Physical chemistry chemical physics : PCCP, 2011, 13, 15854-15864
7206437 CIFC15 H15 N2.5 O0.5P 1 21/c 16.3306; 20.0666; 9.8174
90; 106.713; 90
1194.46Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad
Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations.
Physical chemistry chemical physics : PCCP, 2011, 13, 15845-15853
7206438 CIFC15 H11 N2C 1 2/c 116.8348; 16.8841; 17.4604
90; 109.748; 90
4671.1Dutta, Arpan; Jana, Atish Dipankar; Gangopadhyay, Sumana; Das, Kalyan Kumar; Marek, Jaromir; Marek, Radek; Brus, Jiri; Ali, Mahammad
Unprecedented ππ interaction between an aromatic ring and a pseudo-aromatic ring formed through intramolecular H-bonding in a bidentate Schiff base ligand: crystal structure and DFT calculations.
Physical chemistry chemical physics : PCCP, 2011, 13, 15845-15853
7206439 CIFC4 H9 NP 1 21/c 18.6367; 5.2081; 10.6375
90; 110.579; 90
447.95Dziubek, Kamil F.; Katrusiak, Andrzej
Pressure-induced pseudorotation in crystalline pyrrolidine.
Physical chemistry chemical physics : PCCP, 2011, 13, 15428-15431
7206440 CIFC4 H9 NP 1 21/c 18.717; 5.233; 10.831
90; 110.45; 90
462.93Dziubek, Kamil F.; Katrusiak, Andrzej
Pressure-induced pseudorotation in crystalline pyrrolidine.
Physical chemistry chemical physics : PCCP, 2011, 13, 15428-15431
7206441 CIFC4 H9 NP -17.702; 4.938; 10.572
94.37; 98.54; 99.59
389.96Dziubek, Kamil F.; Katrusiak, Andrzej
Pressure-induced pseudorotation in crystalline pyrrolidine.
Physical chemistry chemical physics : PCCP, 2011, 13, 15428-15431
7206442 CIFC14 H6 F2 S4P 1 21/c 112.592; 3.903; 14.221
90; 110.208; 90
655.9Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko
Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.
Physical chemistry chemical physics : PCCP, 2011, 13, 14370-14377
7206443 CIFC22 H24 S4P -110.701; 15.76; 6.242
91.27; 91.08; 86.64
1050Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko
Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.
Physical chemistry chemical physics : PCCP, 2011, 13, 14370-14377
7206444 CIFC18 H20 S6P 1 21/n 118.922; 17.118; 6.284
90; 94.23; 90
2029.9Nagakubo, Junki; Ashizawa, Minoru; Kawamoto, Tadashi; Tanioka, Akihiko; Mori, Takehiko
Stabilization of organic field-effect transistors by tert-butyl groups in dibenzotetrathiafulvalene derivatives.
Physical chemistry chemical physics : PCCP, 2011, 13, 14370-14377
7206578 CIFC22 H28 Cl Mn N2 O10P 1 21/c 113.7192; 15.7383; 13.6309
90; 119.689; 90
2556.8González-Riopedre, Gustavo; Fernández-García, M Isabel; González-Noya, Ana M; Vázquez-Fernández, M Ángeles; Bermejo, Manuel R.; Maneiro, Marcelino
Manganese-Schiff base complexes as catalysts for water photolysis.
Physical chemistry chemical physics : PCCP, 2011, 13, 18069-18077
7206579 CIFC15 H20 N6 O6 SP 21 21 214.8367; 12.1128; 30.967
90; 90; 90
1814.2Swanick, Kalen N.; Dodd, David W.; Price, Jacquelyn T.; Brazeau, Allison L.; Jones, Nathan D.; Hudson, Robert H. E.; Ding, Zhifeng
Electrogenerated chemiluminescence of triazole-modified deoxycytidine analogues in N,N-dimethylformamide.
Physical chemistry chemical physics : PCCP, 2011, 13, 17405-17412
7206580 CIFC14 H17 N O4P 1 21/c 113.179; 7.241; 15.27
90; 101.58; 90
1427.5Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario
Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.
Physical chemistry chemical physics : PCCP, 2011, 13, 18005-18014
7206581 CIFC16 H21 N O4P 1 21/c 114.7372; 7.5331; 15.9358
90; 115.266; 90
1599.9Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario
Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.
Physical chemistry chemical physics : PCCP, 2011, 13, 18005-18014
7206582 CIFC16 H21 N O4C 1 2/c 123.263; 7.821; 19.649
90; 116.614; 90
3196.2Cariati, Elena; Lanzeni, Valentina; Tordin, Elisa; Ugo, Renato; Botta, Chiara; Giacometti Schieroni, Alberto; Sironi, Angelo; Pasini, Dario
Efficient crystallization induced emissive materials based on a simple push-pull molecular structure.
Physical chemistry chemical physics : PCCP, 2011, 13, 18005-18014
7206766 CIFLa3 Li7 O12 Zr2I a -3 d12.94384; 12.94384; 12.94384
90; 90; 90
2168.65Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen
Structure and dynamics of the fast lithium ion conductor "Li(7)La(3)Zr(2)O(12)".
Physical chemistry chemical physics : PCCP, 2011, 13, 19378-19392
7206767 CIFC29 H22 Cl3 N7 RuP 1 21/n 19.2018; 17.8945; 16.4125
90; 90.386; 90
2702.4Planas, Nora; Ono, Takashi; Vaquer, Lydia; Miró, Pere; Benet-Buchholz, Jordi; Gagliardi, Laura; Cramer, Christopher J.; Llobet, Antoni
Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes.
Physical chemistry chemical physics : PCCP, 2011, 13, 19480-19484
7206881 CIFC6 H12 F6 N2 O4 S2P -18.343; 12.798; 13.793
91.36; 90.644; 93.478
1469.5Yoshida, Yukihiro; Saito, Gunzi
Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.
Physical chemistry chemical physics : PCCP, 2011, 13, 20302-20310
7206882 CIFC8 H12 F10 N2 O4 S2P 1 21/n 110.1328; 17.3243; 10.287
90; 105.36; 90
1741.3Yoshida, Yukihiro; Saito, Gunzi
Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.
Physical chemistry chemical physics : PCCP, 2011, 13, 20302-20310
7206883 CIFC4 H12 F2 N2 O4 S2P 1 21/m 15.8107; 11.1323; 8.4816
90; 90.683; 90
548.61Yoshida, Yukihiro; Saito, Gunzi
Ionic liquids based on diethylmethyl(2-methoxyethyl)ammonium cations and bis(perfluoroalkanesulfonyl)amide anions: influence of anion structure on liquid properties.
Physical chemistry chemical physics : PCCP, 2011, 13, 20302-20310
7206884 CIFC8 H21 I N2C m c m8.8848; 10.8203; 11.8758
90; 90; 90
1141.69Beran, Gregory J. O.; Chronister, Eric L.; Daemen, Luke L.; Moehlig, Aaron R.; Mueller, Leonard J.; Oomens, Jos; Rice, Andrew; Santiago-Dieppa, David R; Tham, Fook S.; Theel, Kelly; Yaghmaei, Sepideh; Morton, Thomas Hellman
Vibrations of a chelated proton in a protonated tertiary diamine.
Physical chemistry chemical physics : PCCP, 2011, 13, 20380-20392
7215448 CIFAl0.196 La3 Li6.06 O12 Zr2I a -3 d12.9727; 12.9727; 12.9727
90; 90; 90
2183.19Buschmann, Henrik; Dölle, Janis; Berendts, Stefan; Kuhn, Alexander; Bottke, Patrick; Wilkening, Martin; Heitjans, Paul; Senyshyn, Anatoliy; Ehrenberg, Helmut; Lotnyk, Andriy; Duppel, Viola; Kienle, Lorenz; Janek, Jürgen
Structure and dynamics of the fast lithium ion conductor "Li7La3Zr2O12".
Physical chemistry chemical physics : PCCP, 2011, 13, 19378-19392

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