-
2
-
-
14744293471
-
-
in edited by P. Gütlich and H. A. Goodwin (Springer-Verlag, Berlin-Heidelberg
-
P. Gütlich and H. A. Goodwin, in Spin Crossover in Transition Metal Compounds, edited by, P. Gütlich, and, H. A. Goodwin, (Springer-Verlag, Berlin-Heidelberg, 2004).
-
(2004)
Spin Crossover in Transition Metal Compounds
-
-
Gütlich, P.1
Goodwin, H.A.2
-
3
-
-
84877918804
-
-
+ ions.
-
+ ions.
-
-
-
-
6
-
-
33845731675
-
-
0103-5053 10.1590/S0103-50532006000800007
-
A. Beni, C. Carbonera, A. Dei, J.-F. Letard, R. Righini, C. Sangregorio, L. Sorace, J. Braz. Chem. Soc. 0103-5053 10.1590/S0103-50532006000800007 17, 1522 (2006).
-
(2006)
J. Braz. Chem. Soc.
, vol.17
, pp. 1522
-
-
Beni, A.1
Carbonera, C.2
Dei, A.3
Letard, J.-F.4
Righini, R.5
Sangregorio, C.6
Sorace, L.7
-
7
-
-
0009320394
-
-
JCPSA6 0021-9606 10.1063/1.459851
-
A. Hauser, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.459851 94, 2741 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 2741
-
-
Hauser, A.1
-
8
-
-
79961081866
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.107.047201
-
A. Droghetti and S. Sanvito, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.107.047201 107, 047201 (2011).
-
(2011)
Phys. Rev. Lett.
, vol.107
, pp. 047201
-
-
Droghetti, A.1
Sanvito, S.2
-
9
-
-
70349345885
-
-
1476-1122 10.1038/nmat2525
-
N. Baadji, M. Piacenza, T. Tugsuz, F. Della Sala, G. Maruccio, and S. Sanvito, Nature Mater. 1476-1122 10.1038/nmat2525 8, 813 (2009).
-
(2009)
Nature Mater.
, vol.8
, pp. 813
-
-
Baadji, N.1
Piacenza, M.2
Tugsuz, T.3
Della Sala, F.4
Maruccio, G.5
Sanvito, S.6
-
10
-
-
39749085709
-
Molecular spintronics using single-molecule magnets
-
DOI 10.1038/nmat2133, PII NMAT2133
-
L. Bogani and W. Wernsdorfer, Nat. Mater. 1476-1122 10.1038/nmat2133 7, 179 (2008). (Pubitemid 351311291)
-
(2008)
Nature Materials
, vol.7
, Issue.3
, pp. 179-186
-
-
Bogani, L.1
Wernsdorfer, W.2
-
11
-
-
85033426302
-
-
0306-0012 10.1039/c1cs15047b
-
S. Sanvito, Chem. Soc. Rev. 0306-0012 10.1039/c1cs15047b 40, 3336 (2011).
-
(2011)
Chem. Soc. Rev.
, vol.40
, pp. 3336
-
-
Sanvito, S.1
-
12
-
-
84861619774
-
-
0031-9007 10.1103/PhysRevLett.108.217201
-
N. Baadji and S. Sanvito, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 108.217201 108, 217201 (2012).
-
(2012)
Phys. Rev. Lett.
, vol.108
, pp. 217201
-
-
Baadji, N.1
Sanvito, S.2
-
13
-
-
84855946038
-
-
JACSAT 0002-7863 10.1021/ja2090096
-
D. Aravena and E. Ruiz, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja2090096 134, 777 (2011).
-
(2011)
J. Am. Chem. Soc.
, vol.134
, pp. 777
-
-
Aravena, D.1
Ruiz, E.2
-
14
-
-
76249105314
-
-
1433-7851 10.1002/anie.200905062
-
M. S. Alam, M. Stocker, K. Gieb, P. Müller, M. Haryono, K. Student, and A. Grohmann, Angew. Chem. Int. Ed. 1433-7851 10.1002/anie.200905062 49, 1159 (2010).
-
(2010)
Angew. Chem. Int. Ed.
, vol.49
, pp. 1159
-
-
Alam, M.S.1
Stocker, M.2
Gieb, K.3
Müller, P.4
Haryono, M.5
Student, K.6
Grohmann, A.7
-
15
-
-
79953235086
-
-
ADVMEW 0935-9648 10.1002/adma.201003821
-
F. Prins, M. Monrabal-Capilla, E. A. Osorio, E. Coronado, and H. S. J. van der Zant, Adv. Mater. ADVMEW 0935-9648 10.1002/adma.201003821 23, 1545 (2011).
-
(2011)
Adv. Mater.
, vol.23
, pp. 1545
-
-
Prins, F.1
Monrabal-Capilla, M.2
Osorio, E.A.3
Coronado, E.4
Van Der Zant, H.S.J.5
-
16
-
-
79961217041
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.83.245415
-
V. Meded, A. Bagrets, K. Fink, R. Chandrasekar, M. Ruben, F. Evers, A. Bernand-Mantel, J. S. Seldenthuis, A. Beukman, and H. S. J. van der Zant, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.83.245415 83, 245415 (2011).
-
(2011)
Phys. Rev. B
, vol.83
, pp. 245415
-
-
Meded, V.1
Bagrets, A.2
Fink, K.3
Chandrasekar, R.4
Ruben, M.5
Evers, F.6
Bernand-Mantel, A.7
Seldenthuis, J.S.8
Beukman, A.9
Van Der Zant, H.S.J.10
-
17
-
-
3142682341
-
-
JPCAFH 1089-5639 10.1021/jp049043i
-
M. Swart, A. Groenhof, A. W. Ehlers, and K. Lammertsma, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp049043i 108, 5479 (2004).
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 5479
-
-
Swart, M.1
Groenhof, A.2
Ehlers, A.W.3
Lammertsma, K.4
-
18
-
-
2942587236
-
-
JCPSA6 0021-9606 10.1063/1.1710046
-
A. Fouqueau, S. Mer, M. Casida, L. M. L. Daku, A. Hauser, T. Mineva, and F. Neese, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1710046 120, 9473 (2004).
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 9473
-
-
Fouqueau, A.1
Mer, S.2
Casida, M.3
Daku, L.M.L.4
Hauser, A.5
Mineva, T.6
Neese, F.7
-
19
-
-
23044490810
-
2+
-
DOI 10.1063/1.1839854, 044110
-
A. Fouqueau, M. Casida, L. M. L. Daku, A. Hauser, and F. Neese, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1839854 122, 044110 (2005). (Pubitemid 41055351)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.4
, pp. 1-13
-
-
Fouqueau, A.1
Casida, M.E.2
Daku, L.M.L.3
Hauser, A.4
Neese, F.5
-
20
-
-
33749321260
-
2+: CASPT2 versus density functional theory
-
DOI 10.1063/1.2353829
-
K. Pierloot and S. Vancoilie, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2353829 125, 124303 (2006). (Pubitemid 44488508)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.12
, pp. 124303
-
-
Pierloot, K.1
Vancoillie, S.2
-
21
-
-
38649107830
-
-
JCPSA6 0021-9606 10.1063/1.2820786
-
K. Pierloot and S. Vancoilie, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2820786 128, 034104 (2006).
-
(2006)
J. Chem. Phys.
, vol.128
, pp. 034104
-
-
Pierloot, K.1
Vancoilie, S.2
-
22
-
-
33846092065
-
Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: All the same?
-
DOI 10.1063/1.2406067
-
S. Zein, S. A. Borshch, P. Fleurat-Lessard, M. E. Casida, and H. Chermette, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2406067 126, 014105 (2007). (Pubitemid 46068394)
-
(2007)
Journal of Chemical Physics
, vol.126
, Issue.1
, pp. 014105
-
-
Zein, S.1
Borshch, S.A.2
Fleurat-Lessard, P.3
Casida, M.E.4
Chermette, H.5
-
24
-
-
0035529353
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.73.33
-
W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.33 73, 33 (2001).
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 33
-
-
Foulkes, W.M.C.1
Mitas, L.2
Needs, R.J.3
Rajagopal, G.4
-
25
-
-
0037121915
-
-
INOCAJ 0020-1669 10.1021/ic025891l
-
M. Reiher, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic025891l 41, 6928 (2002).
-
(2002)
Inorg. Chem.
, vol.41
, pp. 6928
-
-
Reiher, M.1
-
26
-
-
0035730848
-
Reparameterization of hybrid functionals based on energy differences of states of different multiplicity
-
DOI 10.1007/s00214-001-0300-3
-
M. Reiher, O. Salomon, and B. A. Hess, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s00214-001-0300-3 107, 48 (2001). (Pubitemid 33576519)
-
(2001)
Theoretical Chemistry Accounts
, vol.107
, Issue.1
, pp. 48-55
-
-
Reiher, M.1
Salomon, O.2
Hess, B.A.3
-
27
-
-
33745170391
-
Me = tris[2-{[(2methylimi...
-
DOI 10.1002/chem.200500972
-
M. Yamada, H. Hagiwara, H. Torigoe, N. Matsumoto, M. Kojima, F. Dahan, J.-P. Tuchagues, N. Re, and S. Iijima, Chem. Eur. J. CEUJED 0947-6539 10.1002/chem.200500972 12, 4536 (2006). (Pubitemid 43898301)
-
(2006)
Chemistry - A European Journal
, vol.12
, Issue.17
, pp. 4536-4549
-
-
Yamada, M.1
Hagiwara, H.2
Torigoe, H.3
Matsumoto, N.4
Kojima, M.5
Dahan, F.6
Tuchagues, J.-P.7
Re, N.8
Iijima, S.9
-
28
-
-
5344224095
-
Challenges in engineering spin crossover: Structures and magnetic properties of six alcohol solvates of iron(II) tris(2-picolylamine) dichloride
-
DOI 10.1002/anie.200460736
-
M. Hostettler, K. W. Törnroos, D. Chernyshov, B. Vangdal, and H.-B. Bürgi, Angew. Chem. Int. Ed. 1433-7851 10.1002/anie.200460736 43, 4589 (2004). (Pubitemid 39348796)
-
(2004)
Angewandte Chemie - International Edition
, vol.43
, Issue.35
, pp. 4589-4594
-
-
Hostettler, M.1
Tornroos, K.W.2
Chernyshov, D.3
Vangdal, B.4
Burgi, H.-B.5
-
29
-
-
58449129028
-
-
CEUJED 0947-6539 10.1002/chem.200801852
-
G. S. Matouzenko, S. A. Borshch, E. Jeanneau, and M. B. Bushuev, Chem. Eur. J. CEUJED 0947-6539 10.1002/chem.200801852 15, 1252 (2009).
-
(2009)
Chem. Eur. J.
, vol.15
, pp. 1252
-
-
Matouzenko, G.S.1
Borshch, S.A.2
Jeanneau, E.3
Bushuev, M.B.4
-
30
-
-
34547358058
-
Transition metal oxides using quantum Monte Carlo
-
DOI 10.1088/0953-8984/19/34/343201, PII S095389840720880X
-
L. K. Wagner, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/34/343201 19, 343201 (2007). (Pubitemid 47154872)
-
(2007)
Journal of Physics Condensed Matter
, vol.19
, Issue.34
, pp. 343201
-
-
Wagner, L.K.1
-
31
-
-
3042846834
-
-
1477-9226 10.1039/b401155d
-
V. A. Money, J. Elhaïk, M. A. Halcrow, and J. A. K. Howard, Dalton Trans. 1477-9226 10.1039/b401155d 10, 1516 (2004).
-
(2004)
Dalton Trans.
, vol.10
, pp. 1516
-
-
Money, V.A.1
Elhaïk, J.2
Halcrow, M.A.3
Howard, J.A.K.4
-
32
-
-
77955309392
-
-
CPHCBZ 0010-4655 10.1016/j.cpc.2010.04.018
-
M. Valiev, E. J. Bylaska, N. Govind, K. Kowalski, T. P. Straatsma, H. J. J. van Dam, D. Wang, J. Nieplocha, E. Apra, T. L. Windus, and W. A. de Jong, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2010.04.018 181, 1477 (2010).
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1477
-
-
Valiev, M.1
Bylaska, E.J.2
Govind, N.3
Kowalski, K.4
Straatsma, T.P.5
Van Dam, H.J.J.6
Wang, D.7
Nieplocha, J.8
Apra, E.9
Windus, T.L.10
De Jong, W.A.11
-
35
-
-
4243553426
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
-
A. D. Becke, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
36
-
-
5944261746
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.33.8822
-
J. P. Perdew, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.33.8822 33, 8822 (1986).
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822
-
-
Perdew, J.P.1
-
37
-
-
33751157732
-
-
JPCHAX 0022-3654 10.1021/j100096a001
-
P. J. Stephens, F. J. Devlin, C. F. Chabalowski, and M. J. Frisch, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100096a001 98, 11623 (1994).
-
(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
-
-
0000284436
-
-
JCPSA6 0021-9606 10.1063/1.478401
-
M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478401 110, 5029 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 5029
-
-
Ernzerhof, M.1
Scuseria, G.E.2
-
39
-
-
0001475454
-
-
JCPSA6 0021-9606 10.1063/1.478522
-
C. Adamo and V. Barone, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478522 110, 6158 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158
-
-
Adamo, C.1
Barone, V.2
-
40
-
-
0000189651
-
-
JCPSA6 0021-9606 10.1063/1.464913
-
A. D. Becke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.464913 98, 5648 (1993).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
41
-
-
72249083940
-
-
JCOMEL 0953-8984 10.1088/0953-8984/22/2/023201
-
R. J. Needs, M. D. Towler, N. D. Drummond, and P. López Ríos, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/22/2/ 023201 22, 023201 (2010).
-
(2010)
J. Phys. Condens. Matter
, vol.22
, pp. 023201
-
-
Needs, R.J.1
Towler, M.D.2
Drummond, N.D.3
López Ríos, P.4
-
42
-
-
18744379498
-
Smooth relativistic Hartree-Fock pseudopotentials for H to Ba and Lu to Hg
-
DOI 10.1063/1.1888569, 174109
-
J. R. Trail and R. J. Needs, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1888569 122, 174109 (2005). (Pubitemid 40665966)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.17
, pp. 1-10
-
-
Trail, J.R.1
Needs, R.J.2
-
43
-
-
22944435873
-
Norm-conserving Hartree-Fock pseudopotentials and their asymptotic behavior
-
DOI 10.1063/1.1829049, 014112
-
J. R. Trail and R. J. Needs, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1829049 122, 014112 (2005). (Pubitemid 41047755)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.1
, pp. 1-11
-
-
Trail, J.R.1
Needs, R.J.2
-
45
-
-
70349568754
-
-
JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
-
P. Giannozzi, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502 21, 395502 (2009).
-
(2009)
J. Phys. Condens. Matter
, vol.21
, pp. 395502
-
-
Giannozzi, P.1
-
49
-
-
23344449621
-
4')]
-
DOI 10.1063/1.1927081, 234321
-
G. Ganzenmüller, N. Berkaïnem, A. Fouqueau, M. E. Casida, and M. Reiher, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1927081 122, 234321 (2005). (Pubitemid 41100419)
-
(2005)
Journal of Chemical Physics
, vol.122
, Issue.23
, pp. 1-12
-
-
Ganzenmuller, G.1
Berkaine, N.2
Fouqueau, A.3
Casida, M.E.4
Reiher, M.5
|