Crystallography Open Database

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1505042 CIFC35.9 H42.95 Cl2 N5 O4.08 OsP -112.2836; 12.6756; 14.2592
95.491; 107.998; 118.072
1784.59Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505043 CIFC32 H32.5 Cl2 N4 O0.25 OsP -113.958; 14.0949; 18.3531
96.749; 108.022; 102.05
3292.9Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505044 CIFC36 H45 Cl2 N5 O5 RuP 1 21/c 110.771; 25.04; 13.238
90; 91.84; 90
3568.5Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K.
Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy.
Journal of medicinal chemistry, 2007, 50, 6343-6355
1505045 CIFC26 H16C 1 c 111.9998; 18.2129; 7.9427
90; 108.075; 90
1650.22Tong, H.; Dong, Y.; Hong, Y.; Haussler, M.; Lam, J.W.Y.; Sung, H.H.-Y.; Yu, X.; Sun, J.; Williams, I.D.; Kwok, H.S.; Tang, B.Z.
Aggregation-Induced Emission: Effects of Molecular Structure, Solid-State Conformation, and Morphological Packing Arrangement on Light-Emitting Behaviors of Diphenyldibenzofulvene Derivatives
Journal of Physical Chemistry C, 2007, 111, 2287
1505046 CIFC78 H75 Dy N6 O8 P2P 1 21/n 113.263; 23.046; 22.945
90; 91.51; 90
7011Li, Z.-F.; Zhou, L.; Yu, J.-B.; Zhang, H.-J.; Deng, R.-P.; Peng, Z.-P.; Guo, Z.-Y.
Synthesis, Structure, Photoluminescence, and Electroluminescence Properties of a New Dysprosium Complex
Journal of Physical Chemistry C, 2007, 111, 2295
1505047 CIFCa1.9 Mg0.17 O44.11 Si16C 1 2/c 117.982; 17.985; 14.619
90; 114.33; 90
4308Alberti, A.; Cruciani, G.; Galli, E.; Millini, R.; Zanardi, S.
In Situ X-ray Single-Crystal Study on the Dehydration Mechanism in the Monoclinic Polytype of Tschernichite, the Mineral Analog of Zeolite Beta
Journal of Physical Chemistry C, 2007, 111, 4503
1505048 CIFCa1.9 Mg0.17 O36.44 Si16C 1 2/c 117.879; 17.888; 14.635
90; 114.34; 90
4264.5Alberti, A.; Cruciani, G.; Galli, E.; Millini, R.; Zanardi, S.
In Situ X-ray Single-Crystal Study on the Dehydration Mechanism in the Monoclinic Polytype of Tschernichite, the Mineral Analog of Zeolite Beta
Journal of Physical Chemistry C, 2007, 111, 4503
1505049 CIFCa1.84 K0 Mg0.11 Na0 O33.96 Si16C 1 2/c 117.863; 17.857; 14.636
90; 114.35; 90
4253.3Alberti, A.; Cruciani, G.; Galli, E.; Millini, R.; Zanardi, S.
In Situ X-ray Single-Crystal Study on the Dehydration Mechanism in the Monoclinic Polytype of Tschernichite, the Mineral Analog of Zeolite Beta
Journal of Physical Chemistry C, 2007, 111, 4503
1505050 CIFCa1.86 Mg0.18 O32 Si16C 1 2/c 117.829; 17.828; 14.671
90; 114.22; 90
4252.8Alberti, A.; Cruciani, G.; Galli, E.; Millini, R.; Zanardi, S.
In Situ X-ray Single-Crystal Study on the Dehydration Mechanism in the Monoclinic Polytype of Tschernichite, the Mineral Analog of Zeolite Beta
Journal of Physical Chemistry C, 2007, 111, 4503
1505051 CIFC9 H18 N2 O3 SP -17.9343; 8.4797; 10.2782
103.404; 99.567; 111.62
600.67Santos, C.S.; Rivera-Rubero, S.; Dibrov, S.; Baldelli, S.
Ions at the Surface of a Room-Temperature Ionic Liquid
Journal of Physical Chemistry C, 2007, 111, 7682
1505052 CIFC9 H18 N2 O4 SP 1 21/c 18.624; 20.82; 7.967
90; 113.38; 90
1313Santos, C.S.; Rivera-Rubero, S.; Dibrov, S.; Baldelli, S.
Ions at the Surface of a Room-Temperature Ionic Liquid
Journal of Physical Chemistry C, 2007, 111, 7682
1505053 CIFC32 H24 Ar1.15 N2 O8 Rh2P -19.588; 10.322; 10.861
72.139; 64.783; 62.722
856Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S.
Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR
Journal of Physical Chemistry C, 2007, 111, 1524
1505054 CIFC32 H24 Kr1.51 N2 O8 Rh2P -19.587; 10.364; 10.822
71.867; 65.518; 63.237
863.4Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S.
Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR
Journal of Physical Chemistry C, 2007, 111, 1524
1505055 CIFC32 H24 N2 O8 Rh2 Xe2P -19.578; 10.408; 10.837
70.593; 65.599; 63.48
865.7Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S.
Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR
Journal of Physical Chemistry C, 2007, 111, 1524
1505056 CIFC32 H24 Ar1.04 Cu2 N2 O8C 1 2/c 118.396; 9.702; 19.188
90; 98.001; 90
3391.3Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S.
Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR
Journal of Physical Chemistry C, 2007, 111, 1524
1505057 CIFC32 H24 Cu2 Kr1.72 N2 O8C 1 2/c 118.631; 9.7039; 19.276
90; 99.002; 90
3442Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S.
Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR
Journal of Physical Chemistry C, 2007, 111, 1524
1505058 CIFC32 H24 Cu2 N2 O8 Xe2P -19.74; 10.471; 10.867
70.741; 65.519; 63.558
888.7Ueda, T.; Kurokawa, K.; Eguchi, T.; Kachi-Terajima, C.; Takamizawa, S.
Local Structure and Xenon Adsorption Behavior of Metal-Organic Framework System [M2(O2CPh)4(pyz)]n (M = Rh and Cu) As Studied with Use of Single-Crystal X-ray Diffraction, Adsorption Isotherm, and Xenon-129 NMR
Journal of Physical Chemistry C, 2007, 111, 1524
1505059 CIFCl H4 N OP 1 21/n 16.8955; 5.9218; 7.2123
90; 114.141; 90
268.75Nelyubina, Yulia V.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.
Are halide...halide contacts a feature of rock-salts only?
The journal of physical chemistry. A, 2007, 111, 1091-1095
1505060 CIFC51 H31 Eu F18 O8 P2P 1 21/n 113.3063; 31.7409; 13.5077
90; 110.924; 90
5328.81Nakamura, Kazuki; Hasegawa, Yasuchika; Kawai, Hideki; Yasuda, Naoki; Kanehisa, Nobuko; Kai, Yasushi; Nagamura, Toshihiko; Yanagida, Shozo; Wada, Yuji
Enhanced lasing properties of dissymmetric Eu(III) complex with bidentate phosphine ligands.
The journal of physical chemistry. A, 2007, 111, 3029-3037
1505061 CIFC9 H18 N2 O5 SP 1 21/n 17.1338; 14.2416; 12.8338
90; 104.758; 90
1260.86Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen
Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities.
The journal of physical chemistry. B, 2007, 111, 5254-5263
1505062 CIFC12 H18 N2 O4 SP b c a25.654; 10.4439; 10.2801
90; 90; 90
2754.3Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen
Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities.
The journal of physical chemistry. B, 2007, 111, 5254-5263
1505063 CIFC8 H18 N4 S2P -15.8915; 6.8875; 8.2113
73.895; 79.228; 85.917
314.412Munshi, Parthapratim; Cameron, Elinor; Row, Tayur N Guru; Ferrara, Joseph D.; Cameron, T. Stanley
Investigation of inter-ion interactions in N,N,N',N'-tetramethylethylenediammonium dithiocyanate via experimental and theoretical charge density studies.
The journal of physical chemistry. A, 2007, 111, 7888-7897
1505064 CIFC42 H54 Cl6 N2 O2P 1 21/c 15.6794; 18.1714; 21.4441
90; 96.877; 90
2197.17Wang, Jia; Zhao, Yunfeng; Dou, Chuandong; Sun, Hui; Xu, Peng; Ye, Kaiqi; Zhang, Jingying; Jiang, Shimei; Li, Fei; Wang, Yue
Alkyl and dendron substituted quinacridones: synthesis, structures, and luminescent properties.
The journal of physical chemistry. B, 2007, 111, 5082-5089
1505065 CIFC6 H7 N3 O2P 21 21 213.759; 10.307; 17.29
90; 90; 90
669.9Kolev, Tsonko; Koleva, Bojidarka B.; Spiteller, Michael; Mayer-Figge, Heike; Sheldrick, William S.
2-amino-4-nitroaniline, a known compound with unexpected properties.
The journal of physical chemistry. A, 2007, 111, 10084-10089
1505066 CIFC25 H14 Cl4 N2 O10P -110.241; 10.262; 12.302
96.838; 94.763; 98.469
1263Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
The journal of physical chemistry. B, 2007, 111, 6655-6666
1505067 CIFC22 H21 Cl N O7P -110.188; 10.745; 10.888
72.261; 66.57; 83.284
1041.6Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
The journal of physical chemistry. B, 2007, 111, 6655-6666
1505068 CIFC21 H16 Cl4 N2 O6P -110.422; 10.711; 10.787
87.701; 74.392; 89.976
1158.7Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
The journal of physical chemistry. B, 2007, 111, 6655-6666
1505069 CIFC8 H6 O4P 1 21/n 16.5845; 5.2356; 9.99
90; 95.582; 90
342.76Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
The journal of physical chemistry. B, 2007, 111, 6655-6666
1505070 CIFC8 H6 Cl6 O4 SbP -17.982; 7.9976; 10.609
96.96; 107.75; 110.499
584.1Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
The journal of physical chemistry. B, 2007, 111, 6655-6666
1505071 CIFC12 H14 O4P -15.8509; 6.7912; 7.6199
75.221; 85.481; 79.402
287.6Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
The journal of physical chemistry. B, 2007, 111, 6655-6666
1505072 CIFC19 H22 Cl6 N0 O4 SbP -17.8863; 14.082; 14.387
113.899; 101.326; 91.302
1423Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
The journal of physical chemistry. B, 2007, 111, 6655-6666
1505073 CIFC16 H16 N6P 1 21/n 110.448; 8.208; 17.462
90; 95.726; 90
1490Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K.
Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads.
The journal of physical chemistry. B, 2007, 111, 6655-6666
1505074 CIFC28 H7 Cl F12 Hg3P 1 21/n 120.069; 6.8937; 20.918
90; 115; 90
2622.9Elbjeirami, O.; Burress, C.N.; Gabbai, F.P.; Omary, M.A.
Simultaneous External and Internal Heavy-Atom Effects in Binary Adducts of 1-Halonaphthalenes with Trinuclear Perfluoro-ortho-phenylene Mercury(II): A Structural and Photophysical Study
Journal of Physical Chemistry C, 2007, 111, 9522
1505075 CIFC28 H7 Br F12 Hg3P -17.5525; 15.968; 22.542
88.35; 85; 86.94
2703.5Elbjeirami, O.; Burress, C.N.; Gabbai, F.P.; Omary, M.A.
Simultaneous External and Internal Heavy-Atom Effects in Binary Adducts of 1-Halonaphthalenes with Trinuclear Perfluoro-ortho-phenylene Mercury(II): A Structural and Photophysical Study
Journal of Physical Chemistry C, 2007, 111, 9522
1505076 CIFC28 H7 F12 Hg3 IP 1 21/c 115.993; 7.5544; 22.787
90; 98.43; 90
2723.3Elbjeirami, O.; Burress, C.N.; Gabbai, F.P.; Omary, M.A.
Simultaneous External and Internal Heavy-Atom Effects in Binary Adducts of 1-Halonaphthalenes with Trinuclear Perfluoro-ortho-phenylene Mercury(II): A Structural and Photophysical Study
Journal of Physical Chemistry C, 2007, 111, 9522
1505077 CIFC33 H32 O S2C 1 2/c 144.525; 6.2063; 19.6664
90; 92.087; 90
5430.9Liu, Y.; Tao, X.; Wang, F.; Shi, J.; Sun, J.; Yu, W.; Ren, Y.; Zou, D.; Jiang, M.
Intermolecular Hydrogen Bonds Induce Highly Emissive Excimers: Enhancement of Solid-State Luminescence
Journal of Physical Chemistry C, 2007, 111, 6544
1505078 CIFC H11 B10 PP a -39.7418; 9.7418; 9.7418
90; 90; 90
924.5Balaz, Snjezana; Caruso, A. N.; Platt, N. P.; Dimov, D. I.; Boag, N. M.; Brand, J. I.; Losovyj, Ya B.; Dowben, P. A.
The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films.
The journal of physical chemistry. B, 2007, 111, 7009-7016
1505079 CIFC45 H54 N4 O11 S2C 1 2/c 134.527; 10.543; 29.876
90; 123.54; 90
9065Yuan, C.-X.; Tao, X.-T.; Ren, Y.; Li, Y.; Yang, J.-X.; Yu, W.-T.; Wang, L.; Jiang, M.-H.
Synthesis, Structure, and Aggregation-Induced Emission of a Novel Lambda (Λ)-Shaped Pyridinium Salt Based on Tröger's Base
Journal of Physical Chemistry C, 2007, 111, 12811
1505080 CIFC3 H21.33 O8.67P m -3 n12.069; 12.069; 12.069
90; 90; 90
1758Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A.
Structure, dynamics and ordering in structure i ether clathrate hydrates from single-crystal X-ray diffraction and 2H NMR spectroscopy.
The journal of physical chemistry. B, 2007, 111, 11366-11372
1505081 CIFC2.28 H19.9 O8.81P m -3 n11.9454; 11.9454; 11.9454
90; 90; 90
1704.5Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A.
Structure, dynamics and ordering in structure i ether clathrate hydrates from single-crystal X-ray diffraction and 2H NMR spectroscopy.
The journal of physical chemistry. B, 2007, 111, 11366-11372
1505082 CIFC25 H38 N2 O SiP 1 21 19.9567; 7.9025; 15.4975
90; 102.025; 90
1192.63Busygin, I.; Tkachenko, O.P.; Nieminen, V.; Borokov, V.Yu.; Sillanpaa, R.; Toukoniitty, E.; Kustov, L.M.; Murzin, D.Yu.; Leino, R.
Interaction of Cinchonidine and 1-Phenyl-1,2-Propanedione on the Surface of a Chirally Modified Pt/Al2O3 Hydrogenation Catalyst
Journal of Physical Chemistry C, 2007, 111, 9374
1505083 CIFC36 H44 N2 O2P 1 21/n 19.9439; 11.0047; 13.9991
90; 97.908; 90
1517.35Wang, J.; Zhao, Y.; Zhang, J.; Zhang, J.; Yang, B.; Wang, Y.; Zhang, D.; You, H.; Ma, D.
Assembly of One-Dimensional Organic Luminescent Nanowires Based on Quinacridone Derivatives
Journal of Physical Chemistry C, 2007, 111, 9177
1505084 CIFC190 H175 Au25 Cl2 F12 P10 S5 Sb2P -116.53; 20.372; 31.649
89.77; 79.83; 89.14
10489Shichibu, Y.; Negishi, Y.; Watanabe, T.; Chaki, N.K.; Kawaguchi, H.; Tsukuda, T.
Biicosahedral Gold Clusters [Au25(PPh3)10(SCnH2n+1)5Cl2]2+ (n = 2-18): A Stepping Stone to Cluster-Assembled Materials
Journal of Physical Chemistry C, 2007, 111, 7845
1505085 CIFC28 H24 O2P 1 21 19.6751; 10.2214; 10.6522
90; 96.993; 90
1045.6Tong, Hui; Hong, Yuning; Dong, Yongqiang; Häussler, Matthias; Li, Zhen; Lam, Jacky W. Y.; Dong, Yuping; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong
Protein detection and quantitation by tetraphenylethene-based fluorescent probes with aggregation-induced emission characteristics.
The journal of physical chemistry. B, 2007, 111, 11817-11823
1505086 CIFC7 H18 Cl2 N2P 1 21/c 18.1775; 11.2472; 11.474
90; 100.745; 90
1036.81Regler, Brian P.; Emge, Thomas J.; Elliott, James J.; Sauers, Ronald R.; Potenza, Joseph A.; Romsted, Laurence S.
Structural, infrared, and density functional theory studies of N,N,N',N'-Tetramethylimidazolidinium dichloride: a model for cation-anion association of headgroups and counterions in the interfacial regions of gemini micelles.
The journal of physical chemistry. B, 2007, 111, 13668-13674
1505087 CIFC6 H11 I N2 OP 1 21/n 18.3743; 12.0821; 9.6014
90; 104.59; 90
940.13Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.
Revisiting ether-derivatized imidazolium-based ionic liquids.
The journal of physical chemistry. B, 2007, 111, 10095-10108
1505088 CIFC7 H13 I N2 OP 1 21/n 19.4059; 16.3399; 13.6066
90; 91.547; 90
2090.46Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.
Revisiting ether-derivatized imidazolium-based ionic liquids.
The journal of physical chemistry. B, 2007, 111, 10095-10108
1505089 CIFC7 H13 I N2 OP c a 2115.2411; 8.2598; 32.681
90; 90; 90
4114.2Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.
Revisiting ether-derivatized imidazolium-based ionic liquids.
The journal of physical chemistry. B, 2007, 111, 10095-10108
1505090 CIFC8 H15 I N2 O2P 1 21/n 19.5223; 8.0828; 15.406
90; 106.029; 90
1139.65Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.
Revisiting ether-derivatized imidazolium-based ionic liquids.
The journal of physical chemistry. B, 2007, 111, 10095-10108
1505091 CIFC9 H17 Br N2 O2P 1 21/c 17.155; 14.609; 11.88
90; 105.698; 90
1195.5Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J.
Revisiting ether-derivatized imidazolium-based ionic liquids.
The journal of physical chemistry. B, 2007, 111, 10095-10108

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