Crystallography Open Database

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7211282 CIFC141 H77 Cl2 N5 Na2 O12C 1 c 126.826; 16.3245; 24.427
90; 93.108; 90
10681.4Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.
Physical chemistry chemical physics : PCCP, 2013, 15, 9136-9144
7211283 CIFC144 H68 Cl4 N2 P4P 1 21/c 111.9324; 23.1418; 17.7613
90; 99.424; 90
4838.4Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.
Physical chemistry chemical physics : PCCP, 2013, 15, 9136-9144
7211284 CIFC86 H42 Cl4 N4C 1 2/c 129.656; 13.5007; 14.8007
90; 113.549; 90
5432.3Konarev, Dmitri V.; Kuzmin, Alexey V.; Simonov, Sergey V.; Yudanova, Evgeniya I.; Khasanov, Salavat S.; Saito, Gunzi; Lyubovskaya, Rimma N.
Experimental observation of C60 LUMO splitting in the C60(2-) dianions due to the Jahn-Teller effect. Comparison with the C60(˙-) radical anions.
Physical chemistry chemical physics : PCCP, 2013, 15, 9136-9144
7211285 CIFC51 H44 B Cl6 F2 N5 SP -112.8751; 15.0096; 15.4142
113.342; 107.797; 99.46
2461.4Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Harrington, Ross W.
Tuning the Förster overlap integral: energy transfer over 20 Ångstroms from a pyrene-based donor to borondipyrromethene (Bodipy).
Physical chemistry chemical physics : PCCP, 2013, 15, 9854-9861
7211286 CIFC4 H9 O3 Re SP 1 21 15.7787; 17.0131; 7.9775
90; 90.043; 90
784.3Saleh, Nidal; Zrig, Samia; Roisnel, Thierry; Guy, Laure; Bast, Radovan; Saue, Trond; Darquié, Benoît; Crassous, Jeanne
A chiral rhenium complex with predicted high parity violation effects: synthesis, stereochemical characterization by VCD spectroscopy and quantum chemical calculations.
Physical chemistry chemical physics : PCCP, 2013, 15, 10952-10959
7211287 CIFC39 H24 Bi N3 S6P 1 21/n 116.95; 9.6195; 20.795
90; 93.618; 90
3383.9Liu, Gao-Yan; Xu, Ling-Yun; Zhou, Feng; Zhang, Yong; Li, Hua; Xu, Qing Feng; Lu, Jian Mei
Dynamic random access memory devices based on bismuth sulfide nanoplates prepared from a single source precursor.
Physical chemistry chemical physics : PCCP, 2013, 15, 11554-11558
7211288 CIFF1.159 H0.841 Mn O0.841P n n 24.7127; 5.203; 3.2439
90; 90; 90
79.54Ben Yahia, Hamdi; Shikano, Masahiro; Kobayashi, Hironori; Avdeev, Maxim; Liu, Samuel; Ling, Chris D.
Synthesis and characterization of the crystal structure and magnetic properties of the hydroxyfluoride MnF(2-x)(OH)x (x ~ 0.8).
Physical chemistry chemical physics : PCCP, 2013, 15, 13061-13069
7211289 CIFC25 H24 N2P 1 21/c 19.692; 19.705; 21.494
90; 100.178; 90
4040.3Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853
7211290 CIFC25 H24 N2P 1 21/c 136.809; 12.205; 8.9185
90; 95.551; 90
3987.9Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853
7211291 CIFC50 H46 N4P 1 21/n 112.6166; 12.1515; 26.519
90; 98.306; 90
4023Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853
7211292 CIFC50 H46 N4 O2P 1 21/n 18.8877; 23.4338; 10.4997
90; 114.417; 90
1991.21Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853
7211293 CIFC50 H46 N4 O2C 1 2/c 118.7885; 10.0808; 21.5264
90; 102.418; 90
3981.78Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853
7211294 CIFC50 H46 N4 O2I 1 2/a 116.1305; 15.4759; 16.6219
90; 94.267; 90
4137.9Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853
7211295 CIFC50 H46 N4 O2P 1 21/c 116.0313; 30.9627; 16.5171
90; 93.792; 90
8180.7Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853
7211296 CIFC50 H46 N4P -112.1735; 12.2821; 15.1686
111.605; 101.149; 98.891
2004.46Edkins, Robert M.; Probert, Michael R.; Fucke, Katharina; Robertson, Craig M.; Howard, Judith A. K.; Beeby, Andrew
The formation of peroxide degradation products of photochromic triphenylimidazolyl radical-dimers.
Physical chemistry chemical physics : PCCP, 2013, 15, 7848-7853
7211297 CIFC27 H15 Cl3 N4 O2 SP -17.4931; 10.855; 15.27
86.57; 88.5; 79.38
1218.4Chen, Songhua; Qin, Zhihong; Liu, Taifeng; Wu, Xingzhi; Li, Yongjun; Liu, Huibiao; Song, Yinglin; Li, Yuliang
Aggregation-induced emission on benzothiadiazole dyads with large third-order optical nonlinearity.
Physical chemistry chemical physics : PCCP, 2013, 15, 12660-12666
7211298 CIFB2 H19.69 Mg N5.85P -3 1 c13.8385; 13.8385; 7.8284
90; 90; 120
1298.32He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping
Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.
Physical chemistry chemical physics : PCCP, 2013, 15, 10487-10493
7211299 CIFB H6 Li NP 21 21 217.693; 11.9132; 6.8954
90; 90; 90
631.95He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping
Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.
Physical chemistry chemical physics : PCCP, 2013, 15, 10487-10493
7211300 CIFB3 H16 Li3 N2P 1 21 17.8984; 7.0663; 7.4985
90; 93.339; 90
417.8He, Teng; Wu, Hui; Chen, Juner; Zhou, Wei; Wu, Guotao; Xiong, Zhitao; Zhang, Tao; Chen, Ping
Alkali and alkaline-earth metal borohydride hydrazinates: synthesis, structures and dehydrogenation.
Physical chemistry chemical physics : PCCP, 2013, 15, 10487-10493
7211301 CIFC24 H18 N4 O3P 1 2/c 127.6303; 4.10757; 19.1097
90; 110.163; 90
2035.91Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M
The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.
Physical chemistry chemical physics : PCCP, 2013, 15, 13013-13023
7211302 CIFC26 H22 N4 O2P 1 21/n 14.3137; 9.9807; 25.5817
90; 94.618; 90
1097.81Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M
The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.
Physical chemistry chemical physics : PCCP, 2013, 15, 13013-13023
7211303 CIFC25 H20 N4 O2P 1 2/c 127.4458; 4.3843; 19.1157
90; 110.267; 90
2157.8Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M
The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.
Physical chemistry chemical physics : PCCP, 2013, 15, 13013-13023
7211304 CIFC12 H9 N2 OP -14.1838; 9.5677; 12.2486
96.676; 91.076; 93.139
486.09Matos, Catiúcia R M O; Miranda, Fabio S.; Carneiro, José W de M; Pinheiro, Carlos B.; Ronconi, Célia M
The effect of the molecular structures of dicyanomethylene compounds on their supramolecular assembly, photophysical and electrochemical properties.
Physical chemistry chemical physics : PCCP, 2013, 15, 13013-13023
7211305 CIFC35 H51 Ca N5 O19 S3P -19.9974; 13.0768; 18.1443
98.349; 94.887; 111.453
2159.6Spies, Christian; Finkler, Björn; Acar, Nursel; Jung, Gregor
Solvatochromism of pyranine-derived photoacids.
Physical chemistry chemical physics : PCCP, 2013, 15, 19893-19905
7211306 CIFC8 H12 Ag N5 O3P -16.2877; 7.7823; 12.5635
88.036; 89.839; 76.687
597.89Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan
Room-temperature silver-containing liquid metal salts with nitrate anions.
Physical chemistry chemical physics : PCCP, 2013, 15, 18934-18943
7211307 CIFC14 H24 Ag N5 O3P 1 21/c 116.434; 7.8736; 13.8845
90; 106.748; 90
1720.4Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan
Room-temperature silver-containing liquid metal salts with nitrate anions.
Physical chemistry chemical physics : PCCP, 2013, 15, 18934-18943
7211308 CIFC30 H60 Ag N5 O5P -14.5579; 8.222; 23.099
89.274; 87.415; 78.188
846.44Schaltin, Stijn; Brooks, Neil R.; Sniekers, Jeroen; Depuydt, Daphne; Van Meervelt, Luc; Binnemans, Koen; Fransaer, Jan
Room-temperature silver-containing liquid metal salts with nitrate anions.
Physical chemistry chemical physics : PCCP, 2013, 15, 18934-18943
7211309 CIFC20 H19 Cl2 N3 OF d d 229.305; 35.039; 7.0828
90; 90; 90
7272.7Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona
Tuning solid-state blue and red luminescence by the formation of solvate crystals.
Physical chemistry chemical physics : PCCP, 2013, 15, 19845-19852
7211310 CIFC26 H18 Cl6 N2 O2P -15.6826; 10.3721; 12.1384
70.264; 89.299; 82.447
667.18Yan, Dongpeng; Fan, Guoling; Guan, Yan; Meng, Qingyun; Li, Congju; Wang, Jiaona
Tuning solid-state blue and red luminescence by the formation of solvate crystals.
Physical chemistry chemical physics : PCCP, 2013, 15, 19845-19852
7211490 CIFC14 H9 N2 P S2P b c a14.5748; 7.2463; 24.444
90; 90; 90
2581.6Hey, Jakob; Leusser, Dirk; Kratzert, Daniel; Fliegl, Heike; Dieterich, Johannes M.; Mata, Ricardo A.; Stalke, Dietmar
Heteroaromaticity approached by charge density investigations and electronic structure calculations.
Physical chemistry chemical physics : PCCP, 2013, 15, 20600-20610
7211859 CIFC57.5 H64.25 F12 N9.25 O0.25 P2 RuP -116.6339; 17.8896; 23.0113
99.969; 102.875; 112.505
5907.8Kuhnt, Christian; Karnahl, Michael; Tschierlei, Stefanie; Griebenow, Kristin; Schmitt, Michael; Schäfer, Bernhard; Krieck, Sven; Görls, Helmar; Rau, Sven; Dietzek, Benjamin; Popp, Jürgen
Substitution-controlled ultrafast excited-state processes in Ru-dppz-derivatives.
Physical chemistry chemical physics : PCCP, 2010, 12, 1357-1368
7211896 CIFC13 H14 N2P 21 21 215.9003; 9.5998; 19.1346
90; 90; 90
1083.82Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David
A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.
Physical chemistry chemical physics : PCCP, 2010, 12, 3824-3833
7211897 CIFC13 H16 Cl2 N2P 1 2/n 16.0828; 4.5346; 24.586
90; 90.694; 90
678.1Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David
A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.
Physical chemistry chemical physics : PCCP, 2010, 12, 3824-3833
7211898 CIFC39 H46 Cl2 N6 OC 1 2 125.6208; 5.7067; 13.7826
90; 118.962; 90
1763.14Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Lennon, David
A structural and spectroscopic investigation of the hydrochlorination of 4,4'-methylenedianiline.
Physical chemistry chemical physics : PCCP, 2010, 12, 3824-3833
7212128 CIFC9 H17 I N2P b c a13.0165; 9.4458; 18.5173
90; 90; 90
2276.73Cui, Yugang; Biondi, Ilaria; Chaubey, Manish; Yang, Xue; Fei, Zhaofu; Scopelliti, Rosario; Hartinger, Christian G.; Li, Yongdan; Chiappe, Cinzia; Dyson, Paul J.
Nitrile-functionalized pyrrolidinium ionic liquids as solvents for cross-coupling reactions involving in situ generated nanoparticle catalyst reservoirs.
Physical chemistry chemical physics : PCCP, 2010, 12, 1834-1841
7212135 CIFC19 H20 N8P 1 21/c 15.8827; 17.349; 18.563
90; 103.9; 90
1839Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan
A europium complex with enhanced long-wavelength sensitized luminescent properties.
Physical chemistry chemical physics : PCCP, 2010, 12, 3195-3202
7212136 CIFC23 H28 N8P b c n16.807; 16.647; 7.6875
90; 90; 90
2150.9Xue, Fumin; Ma, Yan; Fu, Limin; Hao, Rui; Shao, Guangsheng; Tang, Minxian; Zhang, Jianping; Wang, Yuan
A europium complex with enhanced long-wavelength sensitized luminescent properties.
Physical chemistry chemical physics : PCCP, 2010, 12, 3195-3202
7212137 CIFC35 H43 B N2 Ni O2P 1 21/n 116.834; 12.107; 17.066
90; 114.63; 90
3161.8Bartosik, Joanna; Mudring, Anja-Verena
[Ni(tmen)(acac)][B(Ph)4] a probe for the anion basicity of ionic liquids.
Physical chemistry chemical physics : PCCP, 2010, 12, 4005-4011
7212147 CIFC9 H20 Cl4 Fe NP 63 m c8.223; 8.223; 13.03
90; 90; 120
763.02Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W
Ionic liquids and solids with paramagnetic anions.
Physical chemistry chemical physics : PCCP, 2010, 12, 8919-8925
7212148 CIFC13 H30 Cl4 Fe NP c a 2115.366; 14.861; 17.361
90; 90; 90
3964.5Krieger, Brenna M.; Lee, Heather Y.; Emge, Thomas J.; Wishart, James F.; Castner, Jr, Edward W
Ionic liquids and solids with paramagnetic anions.
Physical chemistry chemical physics : PCCP, 2010, 12, 8919-8925
7212165 CIFC20 H17 F6 N3 O4 S2P 1 21/c 110.807; 15.6746; 13.6445
90; 90.318; 90
2311.3Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Youngs, Tristan G. A.; Bowron, Daniel T.; Teat, Simon J.
Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids.
Physical chemistry chemical physics : PCCP, 2010, 12, 1842-1853
7212166 CIFC21 H19 F6 N3 O4 S2P 1 21/c 110.8851; 15.9998; 13.8814
90; 91.766; 90
2416.4Hardacre, Christopher; Holbrey, John D.; Mullan, Claire L.; Nieuwenhuyzen, Mark; Youngs, Tristan G. A.; Bowron, Daniel T.; Teat, Simon J.
Solid and liquid charge-transfer complex formation between 1-methylnaphthalene and 1-alkyl-cyanopyridinium bis{(trifluoromethyl)sulfonyl}imide ionic liquids.
Physical chemistry chemical physics : PCCP, 2010, 12, 1842-1853
7212175 CIFC12 H9 Cl N4P 1 21/n 14.9073; 24.24; 9.3569
90; 93.236; 90
1111.26Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal
Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.
Physical chemistry chemical physics : PCCP, 2010, 12, 5126-5139
7212176 CIFC12 H9 Cl N4P 1 21/n 114.719; 4.9706; 15.8872
90; 111.317; 90
1082.82Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal
Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.
Physical chemistry chemical physics : PCCP, 2010, 12, 5126-5139
7212177 CIFC12 H9 I N4P 1 21/n 115.2864; 4.9202; 16.7267
90; 114.466; 90
1145.09Standara, Stanislav; Malináková, Katerina; Marek, Radek; Marek, Jaromír; Hocek, Michal; Vaara, Juha; Straka, Michal
Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.
Physical chemistry chemical physics : PCCP, 2010, 12, 5126-5139
7212202 CIFC10 H23 Cl N2 O Si2P 1 21/c 115.1593; 8.54934; 12.6684
90; 103.13; 90
1598.93Niedermeyer, Heiko; Ab Rani, Mohd Azri; Lickiss, Paul D.; Hallett, Jason P.; Welton, Tom; White, Andrew J. P.; Hunt, Patricia A.
Understanding siloxane functionalised ionic liquids.
Physical chemistry chemical physics : PCCP, 2010, 12, 2018-2029
7212245 CIFO3 Sr TiP m -3 m3.905; 3.905; 3.905
90; 90; 90
59.547Longo, Valéria Moraes; das Graça Sampaio Costa, Maria; Zirpole Simões, Alexandre; Rosa, Ieda Lúcia Viana; Santos, Carlos Oliveira Paiva; Andrés, Juan; Longo, Elson; Varela, José Arana
On the photoluminescence behavior of samarium-doped strontium titanate nanostructures under UV light. A structural and electronic understanding.
Physical chemistry chemical physics : PCCP, 2010, 12, 7566-7579
7212280 CIFC23 H31 N O5P -19.051; 9.834; 12.765
74.69; 89.45; 76.56
1064.2Bica, Katharina; Rijksen, Christiaan; Nieuwenhuyzen, Mark; Rogers, Robin D.
In search of pure liquid salt forms of aspirin: ionic liquid approaches with acetylsalicylic acid and salicylic acid.
Physical chemistry chemical physics : PCCP, 2010, 12, 2011-2017
7212329 CIFC6 H12 I O Re S3P 21 21 218.9219; 10.0914; 13.6763
90; 90; 90
1231.34De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne
Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study.
Physical chemistry chemical physics : PCCP, 2010, 12, 8792-8803
7212330 CIFC8 H17 O Re S4P 21 21 218.1147; 10.5897; 16.4388
90; 90; 90
1412.62De Montigny, Frederic; Bast, Radovan; Gomes, Andre Severo Pereira; Pilet, Guillaume; Vanthuyne, Nicolas; Roussel, Christian; Guy, Laure; Schwerdtfeger, Peter; Saue, Trond; Crassous, Jeanne
Chiral oxorhenium(V) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study.
Physical chemistry chemical physics : PCCP, 2010, 12, 8792-8803

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