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Cirujeda, J.1
Ochando, L.E.2
Amigo, J.M.3
Rovira, C.4
Rius, J.5
Veciana, J.6
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5
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37049081223
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J. Cirujeda M. Mas E. Molins F. Lanfranc de Panthou J. Laugien G. J. Park C. Paulsen P. Rey C. Rovira J. Veciana J. Chem. Soc., Chem. Commun. 1995 709
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D.panthou, L.F.4
Laugien, J.5
Park, G.J.6
Paulsen, C.7
Rey, P.8
Rovira, C.9
Veciana, J.10
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16
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33751343307
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L. J. Berliner, Academic Press, New York
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Spin Labeling, ed., L. J. Berliner,, Academic Press, New York, 1976
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33751330086
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Spin Labeling II, ed., L. J. Berliner,, Academic Press, New York, 1979
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32
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0042131804
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The spin density distribution of A-NN and T-NN was calculated with the unrestricted density functional theory at the UB3LYP/6-31 + G(d,p) level using the program package:
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M. Tamura Y. Hosokoshi D. Shiomi M. Kinoshita Y. Nakazawa M. Ishikawa H. Sawa T. Kitazawa A. Eguchi A. Nishio K. Kajita J. Phys. Soc. Jpn. 2003 72 1735
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Tamura, M.1
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Nakazawa, Y.5
Ishikawa, M.6
Sawa, H.7
Kitazawa, T.8
Eguchi, A.9
Nishio, A.10
Kajita, K.11
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33
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0004133516
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Gaussian, Inc., Pittsburgh, PA,. The molecular geometry of A-NN and T-NN was taken from the X-ray crystal structure of the complex. Results of the calculations are tabulated in the ESI
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M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.9), Gaussian, Inc., Pittsburgh, PA, 1998
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(1998)
GAUSSIAN 98 (Revision A.9)
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Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.G.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Head-Gordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
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34
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33751318583
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note
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III, ultralow temperature experiments of magnetic susceptibility are necessary
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