-
1
-
-
0038637130
-
Lanthanide double-decker complexes functioning as magnets at the single-molecular level
-
DOI 10.1021/ja029629n
-
Ishikawa N, Sugita M, Ishikawa T, Koshihara S, Kaizu Y (2003) Lanthanide Double-Decker Complexes Functioning as Magnets at the Single-Molecular Level. Journal of the American Chemical Society 125: 8694-8695. (Pubitemid 36886185)
-
(2003)
Journal of the American Chemical Society
, vol.125
, Issue.29
, pp. 8694-8695
-
-
Ishikawa, N.1
Sugita, M.2
Ishikawa, T.3
Koshihara, S.-Y.4
Kaizu, Y.5
-
2
-
-
84874515145
-
Recent advances in dysprosium-based single molecule magnets: Structural overview and synthetic strategies
-
Zhang P, Guo Y-N, Tang J (2013) Recent advances in dysprosium-based single molecule magnets: Structural overview and synthetic strategies. Coordination Chemistry Reviews 257: 1728-1763.
-
(2013)
Coordination Chemistry Reviews
, vol.257
, pp. 1728-1763
-
-
Zhang, P.1
Guo, Y.-N.2
Tang, J.3
-
3
-
-
57149120980
-
Effects of chemically induced contraction of a coordination polyhedron on the dynamical magnetism bis(phthalocyaninato)dysprosium, a single-4f-ionic single-molecule magnet with a Kramers ground state
-
Ishikawa N, Mizuno Y, Takamatsu S, Ishikawa T., Koshihara S-Y (2008) Effects of chemically induced contraction of a coordination polyhedron on the dynamical magnetism bis(phthalocyaninato)dysprosium, a single-4f-ionic single-molecule magnet with a Kramers ground state. Inorganic Chemistry 47: 10217-10219.
-
(2008)
Inorganic Chemistry
, vol.47
, pp. 10217-10219
-
-
Ishikawa, N.1
Mizuno, Y.2
Takamatsu, S.3
Ishikawa, T.4
Koshihara, S.-Y.5
-
4
-
-
65349092297
-
III =Tb, Dy, Ho, Er, Tm, and Yb)
-
III =Tb, Dy, Ho, Er, Tm, and Yb). Inorganic Chemistry 48: 3467-3479.
-
(2009)
Inorganic Chemistry
, vol.48
, pp. 3467-3479
-
-
AlDamen, M.A.1
Cardona-Serra, S.2
Clemente-Juan, J.M.3
Coronado, E.4
Gaita-Ariño, A.5
-
5
-
-
73249143451
-
A polynuclear lanthanide single-molecule magnet with a record anisotropic barrier
-
Lin P-H, Burchell TJ, Ungur L, Chibotaru LF, Wernsdorfer W, et al. (2009) A polynuclear lanthanide single-molecule magnet with a record anisotropic barrier. Angewandte Chemie International Edition 48: 9489-9492.
-
(2009)
Angewandte Chemie International Edition
, vol.48
, pp. 9489-9492
-
-
Lin, P.-H.1
Burchell, T.J.2
Ungur, L.3
Chibotaru, L.F.4
Wernsdorfer, W.5
-
6
-
-
79959619895
-
Strong exchange and magnetic blocking in N2 32-radical-bridged lanthanide complexes
-
Rinehart JD, Fang M, Evans WJ, Long JR (2011) Strong exchange and magnetic blocking in N2 32-radical-bridged lanthanide complexes. Nature Chemistry 3: 538-542.
-
(2011)
Nature Chemistry
, vol.3
, pp. 538-542
-
-
Rinehart, J.D.1
Fang, M.2
Evans, W.J.3
Long, J.R.4
-
8
-
-
0029685558
-
Double-contrast MR imaging of reperfused porcine myocardial infarction - An experimental study using Gd-DTPA-BMA and Dy-DTPA-BMA
-
Nilsson S, Wikstrom G, Ericsson A, Wikström M, Øksendal A, et al. (1996) Double-contrast MR imaging of reperfused porcine myocardial infarction. An experimental study using Gd-DTAA and Dy-DTPA-BMA. Acta Radiologica 37: 27-35. (Pubitemid 126710071)
-
(1996)
Acta Radiologica
, vol.37
, Issue.1
, pp. 27-35
-
-
Nilsson, S.1
Wikstrom, G.2
Ericsson, A.3
Wikstrom, M.4
Oksendal, A.5
Waldenstrom, A.6
Hemmingsson, A.7
-
9
-
-
0026491859
-
MR imaging of experimental myocardial infarction
-
Wikström M (1992) MR imaging of experimental myocardial infarction. Acta radiologica. Supplementum 379: 1-30.
-
(1992)
Acta Radiologica. Supplementum
, vol.379
, pp. 1-30
-
-
Wikström, M.1
-
10
-
-
0029012120
-
Pharmacokinetics, dosimetry and toxicity of Holmium-166-DOTMP for bone marrow ablation in multiple myeloma
-
Bayouth JE, Macey DJ, Kasi LP, Garlich JR, McMillan K, et al. (1995) Pharmacokinetics, dosimetry and toxicity of Holmium-166-DOTMP for bone marrow ablation in multiple myeloma. Journal of Nuclear Medicine 36: 730-737.
-
(1995)
Journal of Nuclear Medicine
, vol.36
, pp. 730-737
-
-
Bayouth, J.E.1
Macey, D.J.2
Kasi, L.P.3
Garlich, J.R.4
McMillan, K.5
-
11
-
-
20544439124
-
A new sol-gel material doped with an erbium complex and its potential optical-amplification application
-
DOI 10.1002/adfm.200400386
-
Sun L-N, Zhang H-J, Fu L-S, Liu F-Y, Meng Q-G, et al. (2005) A New Sol-Gel aterial Doped with an Erbium Complex and Its Potential optical-Amplification Application. Advanced Functinal Materials 15: 1041-1048. (Pubitemid 40844290)
-
(2005)
Advanced Functional Materials
, vol.15
, Issue.6
, pp. 1041-1048
-
-
Sun, L.-N.1
Zhang, H.-J.2
Fu, L.-S.3
Liu, F.-Y.4
Meng, Q.-G.5
Peng, C.-Y.6
Yu, J.-B.7
-
12
-
-
0037662296
-
Photoluminescence of mesoporous silica films impregnated with an erbium complex
-
Park OH, Seo SY, Jung JI, Bae JY (2003) Photoluminescence of mesoporous silica films impregnated with an erbium complex. Journal of Materials Research 18: 1039-1042.
-
(2003)
Journal of Materials Research
, vol.18
, pp. 1039-1042
-
-
Park, O.H.1
Seo, S.Y.2
Jung, J.I.3
Bae, J.Y.4
-
13
-
-
0037362041
-
Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups
-
Peter E (2003) Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric Groups. Journal of Chemical Information and Computer Sciences 43: 374-380.
-
(2003)
Journal of Chemical Information and Computer Sciences
, vol.43
, pp. 374-380
-
-
Peter, E.1
-
14
-
-
84855829732
-
Relativistic Pseudopotentials: Their Development and Scope of Applications
-
Dolg M, Cao X (2012) Relativistic Pseudopotentials: Their Development and Scope of Applications. Chemical Reviews 112: 403-480.
-
(2012)
Chemical Reviews
, vol.112
, pp. 403-480
-
-
Dolg, M.1
Cao, X.2
-
15
-
-
36549093888
-
Energy-adjusted Abinitio Pseudopotentials for the Rare-earth Elements
-
Dolg M, Stoll H, Preuss H (1989) Energy-adjusted Abinitio Pseudopotentials for the Rare-earth Elements. Journal of Chemical Physics 90: 1730-1734.
-
(1989)
Journal of Chemical Physics
, vol.90
, pp. 1730-1734
-
-
Dolg, M.1
Stoll, H.2
Preuss, H.3
-
17
-
-
33644753066
-
Lanthanide complex coordination polyhedron geometry prediction accuracies of ab initio effective core potential calculations
-
DOI 10.1007/s00894-005-0027-5
-
Freire RO, Rocha GB, Simas AM (2006) Lanthanide Complex Coordination Polyhedron Geometry Prediction Accuracies of Ab initio Effective Core Potential Calculations. Journal of Molecular Modeling 12: 373-389. (Pubitemid 43337175)
-
(2006)
Journal of Molecular Modeling
, vol.12
, Issue.4
, pp. 373-389
-
-
Freire, R.O.1
Rocha, G.B.2
Simas, A.M.3
-
21
-
-
33748619236
-
Theoretical model for the prediction of electronic spectra of lanthanide complexes
-
Andrade AVM, Longo RL, Simas AM, de Sá GF (1996) Theoretical Model for the Prediction of Electronic Spectra of Lanthanide Complexes. Journal of the Chemical Society Faraday Transactions 92: 1835-1839. (Pubitemid 126789865)
-
(1996)
Journal of the Chemical Society - Faraday Transactions
, vol.92
, Issue.11
, pp. 1835-1839
-
-
De Andrade, A.V.M.1
Longo, R.L.2
Simas, A.M.3
De Sa, G.F.4
-
22
-
-
1842432476
-
Sparkle Model for AM1 Calculation of Lanthanide Complexes: Improved Parameters for Europium
-
Rocha GB, Freire RO, da Costa NB, de Sa, GF, Simas AM (2004) Sparkle Model for AM1 Calculation of Lanthanide Complexes: Improved Parameters for Europium. Inorganic Chemistry 43: 2346-2354.
-
(2004)
Inorganic Chemistry
, vol.43
, pp. 2346-2354
-
-
Rocha, G.B.1
Freire, R.O.2
Da Costa, N.B.3
De Sa, G.F.4
Simas, A.M.5
-
23
-
-
19944418511
-
Sparkle model for the calculation of lanthanide complexes: AM1 parameters for Eu(III), Gd(III), and Tb(III)
-
DOI 10.1021/ic048530+
-
Freire RO, Rocha GB, Simas AM (2005) Sparkle Model for the Calculation of Lanthanide Complexes: AM1 Parameters for Eu(III), Gd(III), and Tb(III). Inorganic Chemistry 44: 3299-3310. (Pubitemid 40758139)
-
(2005)
Inorganic Chemistry
, vol.44
, Issue.9
, pp. 3299-3310
-
-
Freire, R.O.1
Rocha, G.B.2
Simas, A.M.3
-
24
-
-
23844443135
-
Sparkle model for the AM1 calculation of dysprosium (III) complexes
-
DOI 10.1016/j.inoche.2005.06.014, PII S1387700305001966
-
da Costa NB, Freire RO, Rocha GB, Simas AM (2005) Sparkle Model for the AM1 Calculation of Dysprosium (III) Complexes. Inorganic Chemistry Communication 8: 831-835. (Pubitemid 41169308)
-
(2005)
Inorganic Chemistry Communications
, vol.8
, Issue.9
, pp. 831-835
-
-
Da Jr., C.N.B.1
Freire, R.O.2
Rocha, G.B.3
Simas, A.M.4
-
25
-
-
28444489587
-
Sparkle/AM1 modeling of holmium (III) complexes
-
DOI 10.1016/j.poly.2005.06.027, PII S0277538705004328
-
da Costa NB, Freire RO, Rocha GB, Simas AM (2005) Sparkle/AM1 Modeling of Holmium (III) Complexes. Polyhedron 24: 3046-3051. (Pubitemid 41735409)
-
(2005)
Polyhedron
, vol.24
, Issue.18
, pp. 3046-3051
-
-
Da Jr., C.N.B.1
Freire, R.O.2
Rocha, G.B.3
Simas, A.M.4
-
28
-
-
0034604371
-
Design of Ligands to Obtain Lanthanide Ion Complexes Displaying High Quantum Efficiencies o Luminescence using the Sparkle Model
-
Faustino WM, Rocha GB, Silva FRGE, Malta OL, de Sá GF, et al. (2000) Design of Ligands to Obtain Lanthanide Ion Complexes Displaying High Quantum Efficiencies o Luminescence using the Sparkle Model. Journal of Molecular Structure - Theochem 527: 245-251.
-
(2000)
Journal of Molecular Structure - Theochem
, vol.527
, pp. 245-251
-
-
Faustino, W.M.1
Rocha, G.B.2
Silva, F.R.G.E.3
Malta, O.L.4
De Sá, G.F.5
-
29
-
-
10644247820
-
Efficacy of the Semiempirical Sparkle Model as Compared to ECP Ab-initio Calculations for the Prediction of Ligand Field Parameters of Europium(III) Complexes
-
Freire RO, Rocha GB, Albuquerque RQ, Simas AM (2005) Efficacy of the Semiempirical Sparkle Model as Compared to ECP Ab-initio Calculations for the Prediction of Ligand Field Parameters of Europium(III) Complexes. Journal of Luminescence 111: 81-87.
-
(2005)
Journal of Luminescence
, vol.111
, pp. 81-87
-
-
Freire, R.O.1
Rocha, G.B.2
Albuquerque, R.Q.3
Simas, A.M.4
-
30
-
-
33644907762
-
-
Faustino WM, Malta OL, Teotonio EES, Brito HF, Simas AM, et al. (2006) The Journal of Physical Chemistry A 110: 2510-2516.
-
(2006)
The Journal of Physical Chemistry A
, vol.110
, pp. 2510-2516
-
-
Faustino, W.M.1
Malta, O.L.2
Teotonio, E.E.S.3
Brito, H.F.4
Simas, A.M.5
-
31
-
-
41849103005
-
Lanthanide Coordination Compounds Modeling: Sparkle/PM3 Parameters for Dysprosium (III), Holmium (III) and Erbium (III)
-
Simas AM, Freire RO, Rocha GB (2008) Lanthanide Coordination Compounds Modeling: Sparkle/PM3 Parameters for Dysprosium (III), Holmium (III) and Erbium (III). Journal of Organometallic Chemistry 693: 1952-1956.
-
(2008)
Journal of Organometallic Chemistry
, vol.693
, pp. 1952-1956
-
-
Simas, A.M.1
Freire, R.O.2
Rocha, G.B.3
-
32
-
-
76249107442
-
Sparkle/PM3 for the Modeling of Europium(III), Gadolinium(III), and Terbium(III) Complexes
-
Freire RO, Rocha GB, Simas AM (2009) Sparkle/PM3 for the Modeling of Europium(III), Gadolinium(III), and Terbium(III) Complexes. Journal of the Brazilian Chemical Society 20: 1638-1645.
-
(2009)
Journal of the Brazilian Chemical Society
, vol.20
, pp. 1638-1645
-
-
Freire, R.O.1
Rocha, G.B.2
Simas, A.M.3
-
33
-
-
79251610282
-
Sparkle/PM6 Parameters for all Lanthanide Trications from La(III) to Lu(III)
-
Freire RO, Simas AM (2010) Sparkle/PM6 Parameters for all Lanthanide Trications from La(III) to Lu(III). Journal of Chemical Theory and Computation 6: 2019-2023.
-
(2010)
Journal of Chemical Theory and Computation
, vol.6
, pp. 2019-2023
-
-
Freire, R.O.1
Simas, A.M.2
-
34
-
-
84882421302
-
Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials
-
Dutra JDL, Filho MAM, Rocha GB, Freire RO, Simas AM, et al. (2013) Sparkle/PM7 Lanthanide Parameters for the Modeling of Complexes and Materials. Journal of Chemical Theory and Computation 9: 3333-3341.
-
(2013)
Journal of Chemical Theory and Computation
, vol.9
, pp. 3333-3341
-
-
Dutra, J.D.L.1
Filho, M.A.M.2
Rocha, G.B.3
Freire, R.O.4
Simas, A.M.5
-
35
-
-
84883394146
-
Sparkle/RM1 parameters for the semiempirical quantum chemical calculation of lanthanide complexes
-
Filho MAM, Dutra JDL, Rocha GB, Freire RO, Simas AM (2013) Sparkle/RM1 parameters for the semiempirical quantum chemical calculation of lanthanide complexes. RSC Advances 3: 16747-16755.
-
(2013)
RSC Advances
, vol.3
, pp. 16747-16755
-
-
Filho, M.A.M.1
Dutra, J.D.L.2
Rocha, G.B.3
Freire, R.O.4
Simas, A.M.5
-
36
-
-
33745597056
-
RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I
-
DOI 10.1002/jcc.20425
-
Rocha GB, Freire RO, Simas AM, Stewart JJP (2006) RM1: A Reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I. Journal of Computational Chemistry 27: 1101-1111. (Pubitemid 43989803)
-
(2006)
Journal of Computational Chemistry
, vol.27
, Issue.10
, pp. 1101-1111
-
-
Rocha, G.B.1
Freire, R.O.2
Simas, A.M.3
Stewart, J.J.P.4
-
37
-
-
0001752768
-
The Cambridge Structural Database: A Quarter of a Million Crystal Structures and Rising
-
Allen FH (2002) The Cambridge Structural Database: A Quarter of a Million Crystal Structures and Rising. Acta Crystallographica Section B 58: 380-388.
-
(2002)
Acta Crystallographica Section B
, vol.58
, pp. 380-388
-
-
Allen, F.H.1
-
38
-
-
0012705663
-
Applications of the Cambridge Structural Database to Molecular Inorganic Chemistry
-
Orpen G (2002) Applications of the Cambridge Structural Database to Molecular Inorganic Chemistry. Acta Crystallographica Section B 58: 398-406.
-
(2002)
Acta Crystallographica Section B
, vol.58
, pp. 398-406
-
-
Orpen, G.1
-
39
-
-
0000187958
-
Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry
-
DOI 10.1107/S0108768102004895
-
Allen FH, Motherwell WDS (2002) Applications of the Cambridge Structural Database in Organic Chemistry and Crystal Chemistry. Acta Crystallographica Section B 58: 407-422. (Pubitemid 135702677)
-
(2002)
Acta Crystallographica Section B: Structural Science
, vol.58
, Issue.3 PART 1
, pp. 407-422
-
-
Allen, F.H.1
Motherwell, W.D.S.2
-
41
-
-
33646516485
-
Possible generalization of Boltzmann-Gibbs statistics
-
Tsallis C (1988) Possible generalization of Boltzmann-Gibbs statistics. Journal of Statistical Physics 52: 479-487.
-
(1988)
Journal of Statistical Physics
, vol.52
, pp. 479-487
-
-
Tsallis, C.1
-
42
-
-
27744537457
-
Modeling lanthanide complexes: Sparkle/AM1 parameters for ytterbium (III)
-
DOI 10.1002/jcc.20288
-
Freire RO, Rocha GB, Simas AM (2005) Modeling Lanthanide Complexes: Sparkle/AM1 Parameters for Ytterbium (III). Journal of Computational Chemistry 26: 1524-1528. (Pubitemid 41609842)
-
(2005)
Journal of Computational Chemistry
, vol.26
, Issue.14
, pp. 1524-1528
-
-
Freire, R.O.1
Rocha, G.B.2
Simas, A.M.3
-
43
-
-
33744999137
-
Modeling rare earth complexes: Sparkle/PM3 parameters for thulium(III)
-
DOI 10.1016/j.cplett.2006.04.103, PII S0009261406005999
-
Freire RO, Rocha GB, Simas AM (2006) Modeling Rare Earth Complexes: Sparkle/PM3 Parameters for Thulium(III). Chemical Physics Letters 425: 138-141. (Pubitemid 43866656)
-
(2006)
Chemical Physics Letters
, vol.425
, Issue.1-3
, pp. 138-141
-
-
Freire, R.O.1
Rocha, G.B.2
Simas, A.M.3
-
44
-
-
0010596510
-
Statistics of the Kolmogorov-Smirnov type
-
3rd ed.; Wiley, B., II, Ed.; John Wiley & Sons: New York, U.S.A
-
Conover WJ (1999) Statistics of the Kolmogorov-Smirnov type. In Practical nonparametric statistics, 3rd ed.; Wiley, B., II, Ed.; John Wiley & Sons: New York, U.S.A 428-473.
-
(1999)
Practical Nonparametric Statistics
, pp. 428-473
-
-
Conover, W.J.1
|