-
1
-
-
0033874086
-
-
Britt, R. D.; Peloquin, J. M.; Campbell, K. A. Annu. Rev. Biophys. Biomol. Struct. 2000, 29, 463-495.
-
(2000)
Annu. Rev. Biophys. Biomol. Struct
, vol.29
, pp. 463-495
-
-
Britt, R.D.1
Peloquin, J.M.2
Campbell, K.A.3
-
4
-
-
1642331709
-
-
Ferreira, K. N.; Iverson, T. M.; Maghlaoui, K.; Barber, J.; Iwata, S. Science 2004, 303, 1831-1838.
-
(2004)
Science
, vol.303
, pp. 1831-1838
-
-
Ferreira, K.N.1
Iverson, T.M.2
Maghlaoui, K.3
Barber, J.4
Iwata, S.5
-
5
-
-
30744445692
-
-
Loll, B.; Kern, J.; Saenger, W.; Zouni, A.; Biesiadka, J. Nature 2005, 438, 1040-1044.
-
(2005)
Nature
, vol.438
, pp. 1040-1044
-
-
Loll, B.1
Kern, J.2
Saenger, W.3
Zouni, A.4
Biesiadka, J.5
-
6
-
-
33750696356
-
-
Yano, J.; Kern, J.; Sauer, K.; Latimer, M.; Pushkar, Y.; Biesiadka, J.; Loll, B.: Saenger, W.; Messinger, J.; Zouni, A.; Yachandra, V. K. Science 2006, 314, 821-825.
-
(2006)
Science
, vol.314
, pp. 821-825
-
-
Yano, J.1
Kern, J.2
Sauer, K.3
Latimer, M.4
Pushkar, Y.5
Biesiadka, J.6
Loll, B.7
Saenger, W.8
Messinger, J.9
Zouni, A.10
Yachandra, V.K.11
-
7
-
-
0014805072
-
-
Kok, B.; Forbush, B.; McGloin, M. Photochem. Photobiol. 1970, 11, 457-476.
-
(1970)
Photochem. Photobiol
, vol.11
, pp. 457-476
-
-
Kok, B.1
Forbush, B.2
McGloin, M.3
-
8
-
-
0030993047
-
-
Yamauchi, T.; Mino, H.; Matsukawa, T.; Kawamori, A.; Ono, T. Biochemistry 1997, 36, 7520-7526.
-
(1997)
Biochemistry
, vol.36
, pp. 7520-7526
-
-
Yamauchi, T.1
Mino, H.2
Matsukawa, T.3
Kawamori, A.4
Ono, T.5
-
9
-
-
0032554072
-
-
Campbell, K. A.; Peloquin, J. M.; Pham, D. P.; Debus, R. J.; Britt, R. D. J. Am. Chem. Soc. 1998, 120, 447-448.
-
(1998)
J. Am. Chem. Soc
, vol.120
, pp. 447-448
-
-
Campbell, K.A.1
Peloquin, J.M.2
Pham, D.P.3
Debus, R.J.4
Britt, R.D.5
-
10
-
-
0034807915
-
-
Messinger, J.; Robblee, J. H.; Bergmann, U.; Fernandez, C.; Glatzel, P.; Visser, H.; Cinco, R. M.; McFarlane, K. L.; Bellacchio, E.; Pizarro, S. A.; Cramer, S. P.; Sauer, K.; Klein, M. P.; Yachandra, V. K. J. Am. Chem. Soc. 2001, 123, 7804-7820.
-
(2001)
J. Am. Chem. Soc
, vol.123
, pp. 7804-7820
-
-
Messinger, J.1
Robblee, J.H.2
Bergmann, U.3
Fernandez, C.4
Glatzel, P.5
Visser, H.6
Cinco, R.M.7
McFarlane, K.L.8
Bellacchio, E.9
Pizarro, S.A.10
Cramer, S.P.11
Sauer, K.12
Klein, M.P.13
Yachandra, V.K.14
-
11
-
-
0030703224
-
-
Messinger, J.; Robblee, J. H.; Yu, W. O.; Sauer, K.; Yachandra, V. K.; Klein, M. P. J. Am. Chem. Soc. 1997, 119, 11349-11350.
-
(1997)
J. Am. Chem. Soc
, vol.119
, pp. 11349-11350
-
-
Messinger, J.1
Robblee, J.H.2
Yu, W.O.3
Sauer, K.4
Yachandra, V.K.5
Klein, M.P.6
-
12
-
-
0035808689
-
-
Dau, H.; Iuzzolino, L.; Dittmer, J. Biochim. Biophys. Acta 2001, 1503, 24-39.
-
(2001)
Biochim. Biophys. Acta
, vol.1503
, pp. 24-39
-
-
Dau, H.1
Iuzzolino, L.2
Dittmer, J.3
-
13
-
-
24644472047
-
-
Boussac, A.; Sugiura, M.; Kirilovsky, D.; Rutherford, A. W. Plant Cell Physiol. 2005, 46, 837-842.
-
(2005)
Plant Cell Physiol
, vol.46
, pp. 837-842
-
-
Boussac, A.1
Sugiura, M.2
Kirilovsky, D.3
Rutherford, A.W.4
-
15
-
-
27744509042
-
-
Haumann, M.; Liebisch, P.; Muller, C.; Barra, M.; Grabolle, M.; Dau, H. Science 2005, 310, 1019-1021.
-
(2005)
Science
, vol.310
, pp. 1019-1021
-
-
Haumann, M.1
Liebisch, P.2
Muller, C.3
Barra, M.4
Grabolle, M.5
Dau, H.6
-
19
-
-
0033628212
-
-
Sigel, A, Sigel, H, Eds, Marcel Dekker Inc, New York
-
Pecoraro, V. L.; Hsieh, W.-Y. In Manganese and Its Role in Biological Processes; Sigel, A., Sigel, H., Eds.; Marcel Dekker Inc.: New York, 2000; Vol. 37, pp 429-504.
-
(2000)
Manganese and Its Role in Biological Processes
, vol.37
, pp. 429-504
-
-
Pecoraro, V.L.1
Hsieh, W.-Y.2
-
20
-
-
0037195338
-
-
Vrettos, J. S.; Brudvig, G. W. Philos. Trans. R. Soc. London, Ser. B 2002, 357, 1395-1404.
-
(2002)
Philos. Trans. R. Soc. London, Ser. B
, vol.357
, pp. 1395-1404
-
-
Vrettos, J.S.1
Brudvig, G.W.2
-
21
-
-
38049042644
-
-
Shimazaki, Y.; Nagano, T.; Takesue, H.; Ye, B. H.; Tani, F.; Naruta, Y. Angew. Chem., Int. Ed. 2004, 43, 98-100.
-
(2004)
Angew. Chem., Int. Ed
, vol.43
, pp. 98-100
-
-
Shimazaki, Y.1
Nagano, T.2
Takesue, H.3
Ye, B.H.4
Tani, F.5
Naruta, Y.6
-
22
-
-
0030813870
-
-
Westre, T. E.; Kennepohl, P.; DeWitt, J. G.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1997, 119, 6297-6314.
-
(1997)
J. Am. Chem. Soc
, vol.119
, pp. 6297-6314
-
-
Westre, T.E.1
Kennepohl, P.2
DeWitt, J.G.3
Hedman, B.4
Hodgson, K.O.5
Solomon, E.I.6
-
23
-
-
0000788131
-
-
Roe, A. L.; Schneider, D. J.; Mayer, R. J.; Pyrz, J. W.; Widom, J.; Que, L., Jr. J. Am. Chem. Soc. 1984, 106, 1676-1681.
-
(1984)
J. Am. Chem. Soc
, vol.106
, pp. 1676-1681
-
-
Roe, A.L.1
Schneider, D.J.2
Mayer, R.J.3
Pyrz, J.W.4
Widom, J.5
Que Jr., L.6
-
24
-
-
33845283452
-
-
Kau, L. S.; Spirasolomon, D. J.; Pennerhahn, J. E.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1987, 109, 6433-6442.
-
(1987)
J. Am. Chem. Soc
, vol.109
, pp. 6433-6442
-
-
Kau, L.S.1
Spirasolomon, D.J.2
Pennerhahn, J.E.3
Hodgson, K.O.4
Solomon, E.I.5
-
25
-
-
0034680594
-
-
Gross, Z.; Golubkov, G.; Simkhovich, L. Angew. Chem., Int. Ed. 2000, 39, 4045-4047.
-
(2000)
Angew. Chem., Int. Ed
, vol.39
, pp. 4045-4047
-
-
Gross, Z.1
Golubkov, G.2
Simkhovich, L.3
-
26
-
-
0001112049
-
-
Groves, J. T.; Watanabe, Y.; McMurry, T. J. J. Am. Chem. Soc. 1983, 105, 4489-4490.
-
(1983)
J. Am. Chem. Soc
, vol.105
, pp. 4489-4490
-
-
Groves, J.T.1
Watanabe, Y.2
McMurry, T.J.3
-
28
-
-
0001281909
-
-
MacDonnell, F. M.: Fackler, N. L. P.; Stern, C.; O'Halloran, T. V. J. Am. Chem. Soc. 1994, 116, 7431-7432.
-
(1994)
J. Am. Chem. Soc
, vol.116
, pp. 7431-7432
-
-
MacDonnell, F.M.1
Fackler, N.L.P.2
Stern, C.3
O'Halloran, T.V.4
-
29
-
-
0037176249
-
-
Mandimutsira, B. S.; Ramdhanie, B.; Todd, R. C.; Wang, H. L.; Zareba, A. A.; Czernuszewicz, R. S.; Goldberg, D. P. J. Am. Chem. Soc. 2002, 124, 15170-15171.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 15170-15171
-
-
Mandimutsira, B.S.1
Ramdhanie, B.2
Todd, R.C.3
Wang, H.L.4
Zareba, A.A.5
Czernuszewicz, R.S.6
Goldberg, D.P.7
-
30
-
-
0025287834
-
-
Collins, T. J.; Powell, R. D.; Slebodnick, C.; Uffelman, E. S. J. Am. Chem. Soc. 1990, 112, 899-901.
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 899-901
-
-
Collins, T.J.1
Powell, R.D.2
Slebodnick, C.3
Uffelman, E.S.4
-
31
-
-
33846850344
-
-
Song, W. J.; Seo, M. S.; DeBeer George, S.; Ohta, T.; Song, R.; Kang, M. J.; Tosha, T.; Kitagawa, T.; Solomon, E. I.; Nam, W. J. Am. Chem. Soc. 2007, 129, 1268-1277.
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 1268-1277
-
-
Song, W.J.1
Seo, M.S.2
DeBeer George, S.3
Ohta, T.4
Song, R.5
Kang, M.J.6
Tosha, T.7
Kitagawa, T.8
Solomon, E.I.9
Nam, W.10
-
32
-
-
0034610965
-
-
Bendix, J.; Deeth, R. J.; Weyhermüller, T.; Bill, E.; Wieghardt, K. Inorg. Chem. 2000, 39, 930-938.
-
(2000)
Inorg. Chem
, vol.39
, pp. 930-938
-
-
Bendix, J.1
Deeth, R.J.2
Weyhermüller, T.3
Bill, E.4
Wieghardt, K.5
-
33
-
-
3042733598
-
-
Weng, T. C.; Hsieh, W. Y.; Uffelman, E. S.; Gordon-Wylie, S. W.; Collins, T. J.; Pecoraro, V. L.; Penner-Hahn, J. E. J. Am. Chem. Soc. 2004, 126, 8070-8071.
-
(2004)
J. Am. Chem. Soc
, vol.126
, pp. 8070-8071
-
-
Weng, T.C.1
Hsieh, W.Y.2
Uffelman, E.S.3
Gordon-Wylie, S.W.4
Collins, T.J.5
Pecoraro, V.L.6
Penner-Hahn, J.E.7
-
34
-
-
0040070502
-
-
Yachandra, V. K.; Sauer, K.; Klein, M. P. Chem. Rev. 1996, 96, 2927-2950.
-
(1996)
Chem. Rev
, vol.96
, pp. 2927-2950
-
-
Yachandra, V.K.1
Sauer, K.2
Klein, M.P.3
-
38
-
-
18844401602
-
-
Sauer, K.; Yano, J.; Yachandra, V. K. Photosynth. Res. 2005, 85, 73-86.
-
(2005)
Photosynth. Res
, vol.85
, pp. 73-86
-
-
Sauer, K.1
Yano, J.2
Yachandra, V.K.3
-
39
-
-
0001314744
-
-
Hahn, J. E.; Scott, R. A.; Hodgson, K. O.; Doniach, S.; Desjardins, S. R.; Solomon, E. I. Chem. Phys. Lett. 1982, 88, 595-598.
-
(1982)
Chem. Phys. Lett
, vol.88
, pp. 595-598
-
-
Hahn, J.E.1
Scott, R.A.2
Hodgson, K.O.3
Doniach, S.4
Desjardins, S.R.5
Solomon, E.I.6
-
40
-
-
33845273466
-
-
Smith, T. A.; Penner-Hahn, J. E.; Berding, M. A.; Doniach, S.; Hodgson, K. O. J. Am. Chem. Soc. 1985, 107, 5945-5955.
-
(1985)
J. Am. Chem. Soc
, vol.107
, pp. 5945-5955
-
-
Smith, T.A.1
Penner-Hahn, J.E.2
Berding, M.A.3
Doniach, S.4
Hodgson, K.O.5
-
41
-
-
33845375691
-
-
Penner-Hahn, J. E.; Benfatto, M.; Hedman, B.; Takahashi, T.; Doniach, S.; Groves, J. T.; Hodgson, K. O. Inorg. Chem. 1986, 25, 2255-2259.
-
(1986)
Inorg. Chem
, vol.25
, pp. 2255-2259
-
-
Penner-Hahn, J.E.1
Benfatto, M.2
Hedman, B.3
Takahashi, T.4
Doniach, S.5
Groves, J.T.6
Hodgson, K.O.7
-
42
-
-
0000207153
-
-
Shadle, S. E.; Penner-Hahn, J. E.; Schugar, H. J.; Hedman, B.; Hodgson, K. O.; Solomon, E. I. J. Am. Chem. Soc. 1993, 115, 767-776.
-
(1993)
J. Am. Chem. Soc
, vol.115
, pp. 767-776
-
-
Shadle, S.E.1
Penner-Hahn, J.E.2
Schugar, H.J.3
Hedman, B.4
Hodgson, K.O.5
Solomon, E.I.6
-
43
-
-
12944298284
-
-
DeBeer George, S.; Brant, P.; Solomon, E. I. J. Am. Chem. Soc. 2005, 127, 667-674.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 667-674
-
-
DeBeer George, S.1
Brant, P.2
Solomon, E.I.3
-
44
-
-
0001142315
-
-
Scott, R. A.; Hahn, J. E.; Doniach, S.; Freeman, H. C.; Hodgson, K. O. J. Am. Chem. Soc. 1982, 104, 5364-5369.
-
(1982)
J. Am. Chem. Soc
, vol.104
, pp. 5364-5369
-
-
Scott, R.A.1
Hahn, J.E.2
Doniach, S.3
Freeman, H.C.4
Hodgson, K.O.5
-
45
-
-
0344279827
-
-
Flank, A. M.; Weininger, M.; Mortenson, L. E.; Cramer, S. P. J. Am. Chem. Soc. 1986, 108, 1049-1055.
-
(1986)
J. Am. Chem. Soc
, vol.108
, pp. 1049-1055
-
-
Flank, A.M.1
Weininger, M.2
Mortenson, L.E.3
Cramer, S.P.4
-
46
-
-
0000117513
-
-
Workman, J. M.; Powell, R. D.; Procyk, A. D.; Collins, T. J.; Bocian, D. F. Inorg. Chem. 1992, 31, 1548-1550.
-
(1992)
Inorg. Chem
, vol.31
, pp. 1548-1550
-
-
Workman, J.M.1
Powell, R.D.2
Procyk, A.D.3
Collins, T.J.4
Bocian, D.F.5
-
48
-
-
0037178122
-
-
Robblee, J. H.; Messinger, J.; Cinco, R. M.; McFarlane, K. L.; Fernandez, C.; Pizarro, S. A.; Sauer, K.; Yachandra, V. K. J. Am. Chem. Soc. 2002, 124, 7459-7471.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 7459-7471
-
-
Robblee, J.H.1
Messinger, J.2
Cinco, R.M.3
McFarlane, K.L.4
Fernandez, C.5
Pizarro, S.A.6
Sauer, K.7
Yachandra, V.K.8
-
50
-
-
31044450583
-
-
Stanford Synchrotron Radiation Laboratory, Stanford Linear Accelerator Center, Stanford University: Stanford, CA 94309
-
George, G. N. EXAFSPAK and EDG_FIT; Stanford Synchrotron Radiation Laboratory, Stanford Linear Accelerator Center, Stanford University: Stanford, CA 94309, 2000.
-
(2000)
EXAFSPAK and EDG_FIT
-
-
George, G.N.1
-
53
-
-
35848931571
-
-
Neese, F. ORCA-an ab initio, DFT, and Semiempirical Electronic Structure Package, version 2.6; University of Bonn: Bonn, Germany, 2003
-
Neese, F. ORCA-an ab initio, DFT, and Semiempirical Electronic Structure Package, version 2.6; University of Bonn: Bonn, Germany, 2003.
-
-
-
-
54
-
-
35848945169
-
-
Geometry-optimized calculations were also performed; however, it was found that the axial Mn-CN bond trans to the nitrido was ∼0.1 Å longer than in the experimental structure. This is consistent with previously reported calculations (refs 55 and 56).
-
Geometry-optimized calculations were also performed; however, it was found that the axial Mn-CN bond trans to the nitrido was ∼0.1 Å longer than in the experimental structure. This is consistent with previously reported calculations (refs 55 and 56).
-
-
-
-
56
-
-
0001593171
-
-
Bendix, J.; Meyer, K.; Weyhermuller, T.; Bill, E.; Metzler-Nolte, N.; Wieghardt, K. inorg. Chem. 1998, 37, 1767-1775.
-
Bendix, J.; Meyer, K.; Weyhermuller, T.; Bill, E.; Metzler-Nolte, N.; Wieghardt, K. inorg. Chem. 1998, 37, 1767-1775.
-
-
-
-
59
-
-
26344435738
-
-
Schafer, A.; Horn, H.; Ahlrichs, R. J. Chem. Phys. 1992, 97, 2571-2577.
-
(1992)
J. Chem. Phys
, vol.97
, pp. 2571-2577
-
-
Schafer, A.1
Horn, H.2
Ahlrichs, R.3
-
60
-
-
34250634314
-
-
Ray, K.; DeBeer George, S.; Solomon, E. I.; Wieghardt, K.; Neese, F. Chem. - Eur. J. 2007, 13, 2783-2797.
-
(2007)
Chem. - Eur. J
, vol.13
, pp. 2783-2797
-
-
Ray, K.1
DeBeer George, S.2
Solomon, E.I.3
Wieghardt, K.4
Neese, F.5
-
62
-
-
35848946047
-
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Additional effect arises from the imperfect polarization ∼95, of the beam
-
Additional effect arises from the imperfect polarization (∼95%) of the beam.
-
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63
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35848961343
-
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The experimental energy resolution is <0.2 eV.
-
The experimental energy resolution is <0.2 eV.
-
-
-
-
64
-
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35848937241
-
-
Due to shortcomings of the DFT potentials in the core regions, a constant shift of 168.2 eV has been applied to all calculated spectra.
-
Due to shortcomings of the DFT potentials in the core regions, a constant shift of 168.2 eV has been applied to all calculated spectra.
-
-
-
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65
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35848941597
-
-
It should be noted that the 0.6% total intensity in the d xz and dyz orbitals does not yield significant transition intensity as the calculated oscillator strength for these transitions is an order of magnitude smaller
-
yz orbitals does not yield significant transition intensity as the calculated oscillator strength for these transitions is an order of magnitude smaller.
-
-
-
-
66
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35848969649
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-
An experimental estimate for the ratio of dipole to quadrupole transitions is based on polarized studies of D2d- and D4h-[CuCl4]2, The pre-edge intensity of centrosymmetric D4h-[CuCl 4]2- represents a pure quadrupole-based transition, while the increased intensity in D2d-[CuCl4] 2- represents an additional contribution due to an electric-dipole-allowed transition ref 42
-
2- represents an additional contribution due to an electric-dipole-allowed transition (ref 42).
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67
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35848955084
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It should be noted that a Mn(V)=O species has been proposed by Limburg et al. as an intermediate for their water-oxidizing binuclear Mn complex (refs 68 and 69, Nam and co-workers have also suggested that their Mn(V)-oxo porphyrin complexes have double bond character (ref 31, The present study shows that the calculated bond orders (based on Löwdin analysis) for five-coordinate Mn(V)-oxo species are close to the idealized value of 3.0, while for six-coordinate complexes, the bond order is reduced to ∼2.5. This indicates that the Mn(V)-oxo bond is weakened due to the presence of a trans-axial ligand (consistent with previous vibrational data refs 21 and 31, however, it is still a stronger bonding interaction than a double bond
-
It should be noted that a Mn(V)=O species has been proposed by Limburg et al. as an intermediate for their water-oxidizing binuclear Mn complex (refs 68 and 69). Nam and co-workers have also suggested that their Mn(V)-oxo porphyrin complexes have double bond character (ref 31). The present study shows that the calculated bond orders (based on Löwdin analysis) for five-coordinate Mn(V)-oxo species are close to the idealized value of 3.0, while for six-coordinate complexes, the bond order is reduced to ∼2.5. This indicates that the Mn(V)-oxo bond is weakened due to the presence of a trans-axial ligand (consistent with previous vibrational data (refs 21 and 31); however, it is still a stronger bonding interaction than a double bond.
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-
-
-
68
-
-
0033525908
-
-
Limburg, J.; Vrettos, J. S.; Liable-Sands, L. M.; Rheingold, A. L.; Crabtree, R. H.; Brudvig, G. W. Science 1999, 283, 1524-1527.
-
(1999)
Science
, vol.283
, pp. 1524-1527
-
-
Limburg, J.1
Vrettos, J.S.2
Liable-Sands, L.M.3
Rheingold, A.L.4
Crabtree, R.H.5
Brudvig, G.W.6
-
69
-
-
0035941496
-
-
Limburg, J.; Vrettos, J. S.; Chen, H. Y.; de Paula, J. C.; Crabtree, R. H.; Brudvig, G. W. J. Am. Chem. Soc. 2001, 123, 423-430.
-
(2001)
Am. Chem. Soc
, vol.123
, pp. 423-430
-
-
Limburg, J.1
Vrettos, J.S.2
Chen, H.Y.3
de Paula, J.C.4
Crabtree, R.H.5
Brudvig, G.W.J.6
-
70
-
-
2942679678
-
-
Green, M. T.; Dawson, J. H.; Gray, H. B. Science 2004, 304, 1653-1656.
-
(2004)
Science
, vol.304
, pp. 1653-1656
-
-
Green, M.T.1
Dawson, J.H.2
Gray, H.B.3
-
71
-
-
28044448295
-
-
Stone, K. L.; Behan, R. K.; Green, M. T. Proc. Natl. Acad. Sci. U.S.A. 2005, 102, 16563-16565.
-
(2005)
Proc. Natl. Acad. Sci. U.S.A
, vol.102
, pp. 16563-16565
-
-
Stone, K.L.1
Behan, R.K.2
Green, M.T.3
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