-
1
-
-
80053416813
-
-
Eds
-
Rovira, C., Veciana, J., Eds. CrystEngComm 2009, 11, 2017-2212.
-
(2009)
CrystEngComm
, vol.11
, pp. 2017-2212
-
-
Rovira, C.1
Veciana, J.2
-
2
-
-
84882514454
-
Magneto-structural Correlations in π-Conjugated Nitroxide-based Radicals: Hydrogen-bonds and Related Interactions in Molecular Organic Solids
-
In; Palacio, F. Makarova, T. Eds. Elsevier: Amsterdam, Netherlands
-
Lahti, P. M. Magneto-structural Correlations in π-Conjugated Nitroxide-based Radicals: Hydrogen-bonds and Related Interactions in Molecular Organic Solids. In Carbon-based magnetism: An overview of the magnetism of metal-free carbon-based compounds and materials; Palacio, F., Makarova, T., Eds. Elsevier: Amsterdam, Netherlands, 2006; pp 23-52.
-
(2006)
Carbon-based Magnetism: An Overview of the Magnetism of Metal-free Carbon-based Compounds and Materials
, pp. 23-52
-
-
Lahti, P.M.1
-
3
-
-
0003486339
-
The Mechanism of the Through-Space Magnetic Interactions in Purely Organic Molecular Magnets
-
In; Veciana, J. Arčon, D. Springer-Verlag: New York, NY
-
Novoa, J. J.; Deumal, M. The Mechanism of the Through-Space Magnetic Interactions in Purely Organic Molecular Magnets. In Pi-electron magnetism: from molecules to magnetic materials; Veciana, J., Arčon, D., Eds.; Springer-Verlag: New York, NY, 2001; pp 33-60.
-
(2001)
Pi-electron Magnetism: From Molecules to Magnetic Materials
, pp. 33-60
-
-
Novoa, J.J.1
Deumal, M.2
-
4
-
-
0033138122
-
-
Minguet, M.; Amabilino, D. B.; Mata, I.; Molins, E.; Veciana, J. Synth. Met. 1999, 103, 2253-2256
-
(1999)
Synth. Met.
, vol.103
, pp. 2253-2256
-
-
Minguet, M.1
Amabilino, D.B.2
Mata, I.3
Molins, E.4
Veciana, J.5
-
5
-
-
80053511273
-
The Magnetism of π-Orbitals under Pressure
-
In; Palacio, F. Makarova, T. Eds. Elsevier: Amsterdam, Netherlands
-
Takeda, K.; Mito, M. The Magnetism of π-Orbitals under Pressure. In Carbon-based magnetism: An overview of the magnetism of metal-free carbon-based compounds and materials; Palacio, F.; Makarova, T., Eds. Elsevier: Amsterdam, Netherlands, 2006; pp 131-158.
-
(2006)
Carbon-based Magnetism: An Overview of the Magnetism of Metal-free Carbon-based Compounds and Materials
, pp. 131-158
-
-
Takeda, K.1
Mito, M.2
-
7
-
-
0031360832
-
-
Hosokoshi, Y.; Tamura, M.; Kinoshita, M. Mol. Cryst. Liq. Cryst. 1997, 306, 423-430
-
(1997)
Mol. Cryst. Liq. Cryst.
, vol.306
, pp. 423-430
-
-
Hosokoshi, Y.1
Tamura, M.2
Kinoshita, M.3
-
8
-
-
0035972430
-
-
Mito, M.; Tanimoto, T.; Kawae, T.; Hitaka, M.; Takeda, K.; Nakatsuji, S.; Morimoto, H.; Anzai, H. Polyhedron 2001, 20, 1505-1508
-
(2001)
Polyhedron
, vol.20
, pp. 1505-1508
-
-
Mito, M.1
Tanimoto, T.2
Kawae, T.3
Hitaka, M.4
Takeda, K.5
Nakatsuji, S.6
Morimoto, H.7
Anzai, H.8
-
9
-
-
0037222754
-
-
Mito, M.; Deguchi, H.; Tanimoto, T.; Kawae, T.; Nakatsuji, S.; Morimoto, H.; Anzai, H.; Nakao, H.; Yurakami, Y.; Takeda, K. Phys. Rev. B 2003, 67, 024427-1-024427-8
-
(2003)
Phys. Rev. B
, vol.67
, pp. 0244271-0244278
-
-
Mito, M.1
Deguchi, H.2
Tanimoto, T.3
Kawae, T.4
Nakatsuji, S.5
Morimoto, H.6
Anzai, H.7
Nakao, H.8
Yurakami, Y.9
Takeda, K.10
-
11
-
-
0031646686
-
-
Takeda, K.; Mito, M.; Kawae, T.; Takumi, M.; Nagata, K.; Tamura, M.; Kinoshita, M. J. Phys. Chem. B 1998, 102, 671-676
-
(1998)
J. Phys. Chem. B
, vol.102
, pp. 671-676
-
-
Takeda, K.1
Mito, M.2
Kawae, T.3
Takumi, M.4
Nagata, K.5
Tamura, M.6
Kinoshita, M.7
-
12
-
-
0000303826
-
-
Mito, M.; Kawae, T.; Takumi, M.; Nagata, K.; Tamura, M.; Kinoshita, M.; Takeda, K. Phys. Rev. B 1997, 56, R14255-R14258
-
(1997)
Phys. Rev. B
, vol.56
-
-
Mito, M.1
Kawae, T.2
Takumi, M.3
Nagata, K.4
Tamura, M.5
Kinoshita, M.6
Takeda, K.7
-
13
-
-
67349108341
-
-
Okumura, M.; Kitagawa, Y.; Kawakami, T.; Yamaguchi, K. Polyhedron 2009, 28, 1898-1902
-
(2009)
Polyhedron
, vol.28
, pp. 1898-1902
-
-
Okumura, M.1
Kitagawa, Y.2
Kawakami, T.3
Yamaguchi, K.4
-
14
-
-
0003151022
-
-
Mito, M.; Kawae, T.; Hitaka, M.; Takeda, K.; Ishida, T.; Nogami, T. Chem. Phys. Lett. 2001, 333, 69-75
-
(2001)
Chem. Phys. Lett.
, vol.333
, pp. 69-75
-
-
Mito, M.1
Kawae, T.2
Hitaka, M.3
Takeda, K.4
Ishida, T.5
Nogami, T.6
-
15
-
-
0042806197
-
-
Takeda, K.; Mito, M.; Kinoshita, K.; Novak, M. A.; Tholence, J. L.; Rassat, A. Polyhedron 2003, 22, 2287-2291
-
(2003)
Polyhedron
, vol.22
, pp. 2287-2291
-
-
Takeda, K.1
Mito, M.2
Kinoshita, K.3
Novak, M.A.4
Tholence, J.L.5
Rassat, A.6
-
16
-
-
0032673424
-
-
Mito, M.; Kawae, T.; Hosokoshi, Y.; Inoue, K.; Kinoshita, M.; Takeda, K. Solid State Commun. 1999, 111, 607-611
-
(1999)
Solid State Commun.
, vol.111
, pp. 607-611
-
-
Mito, M.1
Kawae, T.2
Hosokoshi, Y.3
Inoue, K.4
Kinoshita, M.5
Takeda, K.6
-
17
-
-
85024728286
-
-
Hosokoshi, Y.; Mito, M.; Tamura, M.; Takeda, K.; Inoue, K.; Kinoshita, M. Rev. High Pressure Sci. Technol. 1998, 7, 620-622
-
(1998)
Rev. High Pressure Sci. Technol.
, vol.7
, pp. 620-622
-
-
Hosokoshi, Y.1
Mito, M.2
Tamura, M.3
Takeda, K.4
Inoue, K.5
Kinoshita, M.6
-
18
-
-
0042726808
-
-
Mito, M.; Hitaka, M.; Kawae, T.; Takeda, K.; Suzuki, K.; Mukai, K. Mol. Cryst. Liq. Cryst. Sect. A 1999, 334, 369-378
-
(1999)
Mol. Cryst. Liq. Cryst. Sect. A
, vol.334
, pp. 369-378
-
-
Mito, M.1
Hitaka, M.2
Kawae, T.3
Takeda, K.4
Suzuki, K.5
Mukai, K.6
-
19
-
-
17144439214
-
-
Takeda, K.; Mito, M.; Kawae, T.; Nakano, H.; Hitaka, M.; Suzuki, K.; Mukai, K. J. Magn. Magn. Mater. 1998, 177-181, 817-818
-
(1998)
J. Magn. Magn. Mater.
, vol.177-181
, pp. 817-818
-
-
Takeda, K.1
Mito, M.2
Kawae, T.3
Nakano, H.4
Hitaka, M.5
Suzuki, K.6
Mukai, K.7
-
20
-
-
0031367310
-
-
Takeda, K.; Mito, M.; Ito, M.; Kawae, T.; Hitaka, M.; Matsubara, M.; Mukai, K. Mol. Cryst. Liq. Cryst., Sect. A 1997, 306, 177-184
-
(1997)
Mol. Cryst. Liq. Cryst., Sect. A
, vol.306
, pp. 177-184
-
-
Takeda, K.1
Mito, M.2
Ito, M.3
Kawae, T.4
Hitaka, M.5
Matsubara, M.6
Mukai, K.7
-
21
-
-
22044449302
-
-
Mito, M.; Nakano, H.; Ito, M.; Hitaka, M.; Kawae, T.; Konishi, K.; Mukai, K.; Takeda, K. Czech. J. Phys. 1996, 46, 2107-2108
-
(1996)
Czech. J. Phys.
, vol.46
, pp. 2107-2108
-
-
Mito, M.1
Nakano, H.2
Ito, M.3
Hitaka, M.4
Kawae, T.5
Konishi, K.6
Mukai, K.7
Takeda, K.8
-
22
-
-
0035972425
-
-
Mito, M.; Kawae, T.; Takeda, K.; Takagi, S.; Matsushita, Y.; Deguchi, H.; Rawson, J. M.; Palacio, F. Polyhedron 2001, 20, 1509-1512
-
(2001)
Polyhedron
, vol.20
, pp. 1509-1512
-
-
Mito, M.1
Kawae, T.2
Takeda, K.3
Takagi, S.4
Matsushita, Y.5
Deguchi, H.6
Rawson, J.M.7
Palacio, F.8
-
23
-
-
38349057931
-
-
Murata, H.; Miyazaki, Y.; Inaba, A.; Paduan-Filho, A.; Bindilatti, V.; Oliveira, N. F., Jr.; Delen, Z.; Lahti, P. M. J. Am. Chem. Soc. 2008, 130, 186-194
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 186-194
-
-
Murata, H.1
Miyazaki, Y.2
Inaba, A.3
Paduan-Filho, A.4
Bindilatti, V.5
Oliveira Jr., N.F.6
Delen, Z.7
Lahti, P.M.8
-
24
-
-
33744978607
-
-
Murata, H.; Delen, Z.; Lahti, P. M. Chem. Mater. 2006, 18, 2625-2627
-
(2006)
Chem. Mater.
, vol.18
, pp. 2625-2627
-
-
Murata, H.1
Delen, Z.2
Lahti, P.M.3
-
25
-
-
0031337759
-
-
Yoshioka, N.; Irisawa, M.; Mochizuki, Y.; Aoki, T.; Inoue, H. Mol. Cryst. Liq. Cryst., Sect A 1997, 306, 403-408
-
(1997)
Mol. Cryst. Liq. Cryst., Sect A
, vol.306
, pp. 403-408
-
-
Yoshioka, N.1
Irisawa, M.2
Mochizuki, Y.3
Aoki, T.4
Inoue, H.5
-
26
-
-
0031482857
-
-
Yoshioka, N.; Irisawa, M.; Mochizuki, Y.; Kato, T.; Inoue, H.; Ohba, S. Chem. Lett. 1997, 251-252
-
(1997)
Chem. Lett.
, pp. 251-252
-
-
Yoshioka, N.1
Irisawa, M.2
Mochizuki, Y.3
Kato, T.4
Inoue, H.5
Ohba, S.6
-
27
-
-
34548309563
-
Crystal Control in Organic Radical Solids
-
In; Lahti, P. M. Marcel-Dekker: New York, NY
-
Yoshioka, N.; Inoue, H. Crystal Control in Organic Radical Solids. In Magnetic Properties of Organic Materials; Lahti, P. M., Ed.; Marcel-Dekker: New York, NY, 1999; pp 553-572.
-
(1999)
Magnetic Properties of Organic Materials
, pp. 553-572
-
-
Yoshioka, N.1
Inoue, H.2
-
29
-
-
80053499306
-
-
SHELXTL97 Program for the Refinement of Crystal Structures; University of Göttingen: Germany
-
Sheldrick, G. M. SHELXTL97 Program for the Refinement of Crystal Structures; University of Göttingen: Germany.
-
-
-
Sheldrick, G.M.1
-
30
-
-
78650924008
-
-
Halder, G. J.; Chapman, K. W.; Schlueter, J. A.; Manson, J. L. Angew. Chem., Int. Ed. 2011, 50, 419-421
-
(2011)
Angew. Chem., Int. Ed.
, vol.50
, pp. 419-421
-
-
Halder, G.J.1
Chapman, K.W.2
Schlueter, J.A.3
Manson, J.L.4
-
31
-
-
0001332975
-
-
Swank, D. D.; Landee, C. P.; Willet, R. D. Phys. Rev. B 1979, 20, 2154-2162
-
(1979)
Phys. Rev. B
, vol.20
, pp. 2154-2162
-
-
Swank, D.D.1
Landee, C.P.2
Willet, R.D.3
-
32
-
-
36149005949
-
-
Baker, G. A., Jr.; Rushbrooke, G. S.; Gilbert, H. E. Phys. Rev. 1964, 135, A1272-1277
-
(1964)
Phys. Rev.
, vol.135
, pp. 1272-1277
-
-
Baker Jr., G.A.1
Rushbrooke, G.S.2
Gilbert, H.E.3
-
33
-
-
80053511810
-
-
2 spin units
-
2 spin units.
-
-
-
-
34
-
-
70450206724
-
-
Revision B.0; Gaussian, Inc. Wallingford, CT, See the full citation in the Supporting Information
-
Frisch, M. J.; Gaussian 09, Revision B.0; Gaussian, Inc.: Wallingford, CT, 2010. See the full citation in the Supporting Information.
-
(2010)
Gaussian 09
-
-
Frisch, M.J.1
-
35
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
37
-
-
33751157732
-
-
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
38
-
-
0000272650
-
-
The broken symmetry unrestricted wave function approximation is a much-used practical solution to the difficulties of computing energies for radical pair singlet states. The approach has drawbacks, especially the contamination of the spin expectation value by higher multiplicity contributions, as described in
-
The broken symmetry unrestricted wave function approximation is a much-used practical solution to the difficulties of computing energies for radical pair singlet states. The approach has drawbacks, especially the contamination of the spin expectation value by higher multiplicity contributions, as described in: Davidson, E. R. Int. J. Quantum Chem. 1998, 69, 241-245
-
(1998)
Int. J. Quantum Chem.
, vol.69
, pp. 241-245
-
-
Davidson, E.R.1
-
41
-
-
79954473625
-
-
Leitch, A. A.; Lekin, K.; Winter, S. M.; Downie, L. E.; Tsuruda, H.; Tse, J. S.; Mito, M.; Desgreniers, S.; Dube, P. A.; Zhang, S.; Liu, Q.; Jin, C.; Ohishi, Y.; Oakley, R. T. J. Am. Chem. Soc. 2011, 133, 6051-6060
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 6051-6060
-
-
Leitch, A.A.1
Lekin, K.2
Winter, S.M.3
Downie, L.E.4
Tsuruda, H.5
Tse, J.S.6
Mito, M.7
Desgreniers, S.8
Dube, P.A.9
Zhang, S.10
Liu, Q.11
Jin, C.12
Ohishi, Y.13
Oakley, R.T.14
-
42
-
-
70450195876
-
-
Mito, M.; Komorida, Y.; Tsuruda, H.; Tse, J. S.; Desgreniers, S.; Ohishi, T.; Leitch, A. A.; Cvrkalj, K.; Robertson, C. M.; Oakley, R. T. J. Am. Chem. Soc. 2009, 131, 16012-16013
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 16012-16013
-
-
Mito, M.1
Komorida, Y.2
Tsuruda, H.3
Tse, J.S.4
Desgreniers, S.5
Ohishi, T.6
Leitch, A.A.7
Cvrkalj, K.8
Robertson, C.M.9
Oakley, R.T.10
-
43
-
-
46049095912
-
-
Robertson, C. M.; Leitch, A. A.; Cvrkalj, K.; Reed, R. W.; Myles, D. J. T.; Dube, P. A.; Oakley, R. T. J. Am. Chem. Soc. 2008, 130, 8414-8425
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 8414-8425
-
-
Robertson, C.M.1
Leitch, A.A.2
Cvrkalj, K.3
Reed, R.W.4
Myles, D.J.T.5
Dube, P.A.6
Oakley, R.T.7
-
44
-
-
35548991493
-
-
Robertson, C. M.; Myles, D. J. T.; Leitch, A. A.; Reed, R. W.; Dooley, D. M.; Frank, N. L.; Dube, P. A.; Thompson, L. K.; Oakley, R. T. J. Am. Chem. Soc. 2007, 129, 12688-12689
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 12688-12689
-
-
Robertson, C.M.1
Myles, D.J.T.2
Leitch, A.A.3
Reed, R.W.4
Dooley, D.M.5
Frank, N.L.6
Dube, P.A.7
Thompson, L.K.8
Oakley, R.T.9
-
45
-
-
33745640474
-
-
Rawson, J. M.; Alberola, A.; Whalley, A. J. Mater. Chem. 2006, 16, 2560
-
(2006)
J. Mater. Chem.
, vol.16
, pp. 2560
-
-
Rawson, J.M.1
Alberola, A.2
Whalley, A.3
-
46
-
-
3042723889
-
-
Zakrassov, A.; Shteiman, V.; Sheynin, Y.; Tumanskii, B.; Botoshansky, M.; Kapon, M.; Keren, A.; Kaftory, M.; Vosc, T. E.; Miller, J. S. J. Mater. Chem. 2004, 14, 1827-1837
-
(2004)
J. Mater. Chem.
, vol.14
, pp. 1827-1837
-
-
Zakrassov, A.1
Shteiman, V.2
Sheynin, Y.3
Tumanskii, B.4
Botoshansky, M.5
Kapon, M.6
Keren, A.7
Kaftory, M.8
Vosc, T.E.9
Miller, J.S.10
-
47
-
-
79953676304
-
-
Yu, X.; Mailman, A.; Dube, P. A.; Abdeljalil Assoud, A.; Oakley, R. T. Chem. Commun. 2011, 47, 4655-4657
-
(2011)
Chem. Commun.
, vol.47
, pp. 4655-4657
-
-
Yu, X.1
Mailman, A.2
Dube, P.A.3
Abdeljalil Assoud, A.4
Oakley, R.T.5
|