-
1
-
-
3042646959
-
Zero-field splitting in metal complexes
-
Boča, R. Zero-field splitting in metal complexes. Coord. Chem. Rev. 248, 757-815 (2004
-
(2004)
Coord. Chem. Rev
, vol.248
, pp. 757-815
-
-
Boča, R.1
-
2
-
-
84921763695
-
-
Oxford University Press Oxford U.K.
-
Gatteschi, D., Sessoli, R., Villain, J. Molecular Nanomagnets, Oxford University Press, Oxford, U.K., 2006
-
(2006)
Molecular Nanomagnets
-
-
Gatteschi, D.1
Sessoli, R.2
Villain, J.3
-
3
-
-
84555214282
-
Slow magnetic relaxation in a pseudotetrahedral cobalt(II) complex with easy-plane anisotropy
-
Zadrozny, J. M., Long J. R. Slow magnetic relaxation in a pseudotetrahedral cobalt(II) complex with easy-plane anisotropy. Chem. Commun. 48, 3927-3929 (2012
-
(2012)
Chem. Commun
, vol.48
, pp. 3927-3929
-
-
Zadrozny, J.M.1
Long, J.R.2
-
4
-
-
0038637130
-
Lanthanide double-decker complexes functioning as magnets at the single-molecular level
-
Ishikawa, N., Sugita, M., Ishikawa, T., Koshihara, S. & Kaizu, Y. Lanthanide double-decker complexes functioning as magnets at the single-molecular level. J. Am. Chem. Soc. 125, 8694-8695 (2003
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 8694-8695
-
-
Ishikawa, N.1
Sugita, M.2
Ishikawa, T.3
Koshihara, S.4
Kaizu, Y.5
-
5
-
-
77950448094
-
Slow magnetic relaxation in a high-spin iron(II) Complex
-
Freedman, D. E. et al. Slow magnetic relaxation in a high-spin iron(II) Complex. J. Am. Chem. Soc. 132, 1224-1225 (2010
-
(2010)
J. Am. Chem. Soc
, vol.132
, pp. 1224-1225
-
-
Freedman, D.E.1
-
6
-
-
80053484718
-
Single-molecule magnet behavior with a single metal center enhanced through peripheral ligand modifications
-
Jurca, T. et al. Single-molecule magnet behavior with a single metal center enhanced through peripheral ligand modifications. J. Am. Chem. Soc. 133, 15814-15817 (2011
-
(2011)
J. Am. Chem. Soc
, vol.133
, pp. 15814-15817
-
-
Jurca, T.1
-
7
-
-
84894333389
-
Slow magnetic relaxation in trigonal-planar mononuclear Fe(II) and Co(II) bis(trimethylsilyl)amido complexes - A comparative Study
-
Eichh?er, A., Lan, Y., Mereacre, V., Bodenstein, T. & Weigend, F. Slow magnetic relaxation in trigonal-planar mononuclear Fe(II) and Co(II) bis(trimethylsilyl)amido complexes - A comparative Study. Inorg. Chem. 53, 1962-1974 (2014
-
(2014)
Inorg. Chem
, vol.53
, pp. 1962-1974
-
-
Eichher, A.1
Lan, Y.2
Mereacre, V.3
Bodenstein, T.4
Weigend, F.5
-
8
-
-
84555177973
-
Slow magnetic relaxation at zero field in the tetrahedral complex [Co(SPh) 4]2
-
Zadrozny, J. M. & Long, J. R. Slow magnetic relaxation at zero field in the tetrahedral complex [Co(SPh)4]2-. J. Am. Chem. Soc. 133, 20732-20734 (2011
-
(2011)
J. Am. Chem. Soc.
, vol.133
, pp. 20732-20734
-
-
Zadrozny, J.M.1
Long, J.R.2
-
9
-
-
84885648164
-
Influence of the ligand field on slow magnetization relaxation versus spin crossover in mononuclear cobalt complexes
-
Habib, F. et al. Influence of the ligand field on slow magnetization relaxation versus spin crossover in mononuclear cobalt complexes. Angew. Chem., Int. Ed. 52, 11290-11293 (2013
-
(2013)
Angew. Chem Int. Ed.
, vol.52
, pp. 11290-11293
-
-
Habib, F.1
-
10
-
-
84882977100
-
Slow magnetic relaxation in a CoII-YIII single-ion magnet with positive axial zero-field splitting
-
Colacio, E. et al. Slow magnetic relaxation in a CoII-YIII single-ion magnet with positive axial zero-field splitting. Angew. Chem., Int. Ed. 52, 9130-9134 (2013
-
(2013)
Angew. Chem Int. Ed.
, vol.52
, pp. 9130-9134
-
-
Colacio, E.1
-
11
-
-
80052745038
-
Crystal water molecules as magnetic tuners in molecular metamagnets exhibiting antiferro-ferro-paramagnetic transitions
-
Herchel, R., Tuček, J., Traávniíček, Z., Petridis, D. & Zbořil, R. Crystal water molecules as magnetic tuners in molecular metamagnets exhibiting antiferro-ferro-paramagnetic transitions. Inorg. Chem. 50, 9153-9163 (2011
-
(2011)
Inorg. Chem
, vol.50
, pp. 9153-9163
-
-
Herchel, R.1
Tuček, J.2
Traávniíček, Z.3
Petridis, D.4
Zbořil, R.5
-
12
-
-
84880304686
-
Fe3O4 nanocrystals tune the magnetic regime of the Fe/Ni molecular magnet: A new class of magnetic superstructures
-
Zoppellaro, G., Tuček, J., Herchel, R., Šafř?v' K. & Zbořil, R. Fe3O4 nanocrystals tune the magnetic regime of the Fe/Ni molecular magnet: A new class of magnetic superstructures. Inorg. Chem. 52, 8144- 8150 (2013
-
(2013)
Inorg. Chem.
, vol.52
, pp. 8144-8150
-
-
Zoppellaro, G.1
Tuček, J.2
Herchel, R.3
Šafř, V.K.4
Zbořil, R.5
-
13
-
-
84879233246
-
Magnetostructural study of tetracoordinate cobalt(II) complexes Magnetostructural study of tetracoordinate cobalt(II) complexes
-
Titiš, J., Miklovič, J. & Boča, R. Magnetostructural study of tetracoordinate cobalt(II) complexes. Magnetostructural study of tetracoordinate cobalt(II) complexes. Inorg. Chem. Commun. 35, 72-75 (2013
-
(2013)
Inorg. Chem. Commun
, vol.35
, pp. 72-75
-
-
Titiš, J.1
Miklovič, J.2
Boča, R.3
-
14
-
-
84877709622
-
Structure of cobalt diquinoline diisothiocyanate
-
Mirceva, A. & Golic, L. Structure of cobalt diquinoline diisothiocyanate. Acta Cryst. 46, 1001-1003 (1990
-
(1990)
Acta Cryst
, vol.46
, pp. 1001-1003
-
-
Mirceva, A.1
Golic, L.2
-
15
-
-
40349112190
-
Monoclinic form of dichlorobis(quinoline-N)cobalt(II
-
Wang, W., Huang, D., Zhu, H., Chen, C. & Liu, Q. Monoclinic form of dichlorobis(quinoline-N)cobalt(II). Acta Cryst. E57, m587-m588 (2001
-
(2001)
Acta Cryst
, pp. m587-m588
-
-
Wang, W.1
Huang, D.2
Zhu, H.3
Chen, C.4
Liu, Q.5
-
16
-
-
0000996059
-
Dichlorobis(4-methylpyridine) cobalt(II
-
Laing, M. & Carr, G. Dichlorobis(4-methylpyridine)cobalt(II). Acta Cryst. B31, 2683-2684 (1975
-
(1975)
Acta Cryst
, pp. 2683-2684
-
-
Laing, M.1
Carr, G.2
-
17
-
-
0012473744
-
Magnetic ordering in cobalt chloride-triphenylphosphine (CoCl2.2P(C6H5) 3) and cobalt bromide-triphenylphosphine (CoBr2.2P(C6H5) 3)
-
Carlin, R. L., Chirico, R. D., Sinn, E., Mennenga, G. & De Jongh, L. J. Magnetic ordering in cobalt chloride-triphenylphosphine (CoCl2.2P(C6H5)3) and cobalt bromide-triphenylphosphine (CoBr2.2P(C6H5)3). Inorg. Chem. 21, 2218-2222 (1982
-
(1982)
Inorg. Chem.
, vol.21
, pp. 2218-2222
-
-
Carlin, R.L.1
Chirico, R.D.2
Sinn, E.3
Mennenga, G.4
De Jongh, L.J.5
-
19
-
-
84886380659
-
P -p Stacking, spin density and magnetic coupling strength
-
Chi, Y.-H. et al. p -p Stacking, spin density and magnetic coupling strength. Dalton Trans. 42, 15559-15569 (2013
-
(2013)
Dalton Trans
, vol.42
, pp. 15559-15569
-
-
Chi, Y.-H.1
-
20
-
-
84906218902
-
Single-Molecule Magnetism in a Pentacoordinate Cobalt(II) Complex Supported by an Antenna Ligand
-
Rajn?, C., Titiš, J., Fuhr, O., Ruben, M. & Boča, R. Single-Molecule Magnetism in a Pentacoordinate Cobalt(II) Complex Supported by an Antenna Ligand. Inorg. Chem. 53, 8200-8202 (2014
-
(2014)
Inorg. Chem
, vol.53
, pp. 8200-8202
-
-
Rajn, C.1
Titiš, J.2
Fuhr, O.3
Ruben, M.4
Boča, R.5
-
21
-
-
5244333730
-
Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes
-
Ruiz, E., Cano, J., Alvarez, S. & Alemany, P. Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes. J. Comput. Chem. 20, 1391-1400 (1999
-
(1999)
J. Comput. Chem
, vol.20
, pp. 1391-1400
-
-
Ruiz, E.1
Cano, J.2
Alvarez, S.3
Alemany, P.4
-
22
-
-
0038665159
-
About the calculation of exchange coupling constants in polynuclear transition metal complexes
-
Ruiz, E., Rodriguez-Fortea, A., Cano, J., Alvarez, S. & Alemany, P. About the calculation of exchange coupling constants in polynuclear transition metal complexes. J. Comput. Chem. 24, 982-989 (2003
-
(2003)
J. Comput. Chem
, vol.24
, pp. 982-989
-
-
Ruiz, E.1
Rodriguez-Fortea, A.2
Cano, J.3
Alvarez, S.4
Alemany, P.5
-
23
-
-
84902476641
-
Slow magnetic relaxation in octahedral cobalt(II) field-induced single-ion magnet with positive axial and large rhombic anisotropy
-
Herchel, R., V?ovsk' L., Potočn?, I. & Tr?nč?k, Z. Slow magnetic relaxation in octahedral cobalt(II) field-induced single-ion magnet with positive axial and large rhombic anisotropy. Inorg. Chem. 53, 5896-5898 (2014
-
(2014)
Inorg. Chem
, vol.53
, pp. 5896-5898
-
-
Herchel, R.1
Vovsk, L.2
Potočn, I.3
Trnčk, Z.4
-
24
-
-
0003632472
-
Theoretical Foundations of Molecular Magnetism
-
Elsevier
-
Boča, R. Theoretical Foundations of Molecular Magnetism, Elsevier, Amsterdam, 1999
-
(1999)
Amsterdam
-
-
Boča, R.1
-
25
-
-
34250653849
-
Numerical Recipes in Fortran 77
-
2nd Edition, Cambridge University Press
-
Press, W.H, Flannery, B.P., Teukolsky, S.A., Vetterling, W. T. Numerical Recipes in Fortran 77. The Art of Scientific Computing, 2nd Edition, Cambridge University Press, 1992
-
(1992)
Art of Scientific Computing
-
-
Press, W.H.1
Flannery, B.P.2
Teukolsky, S.A.3
Vetterling, W.T.4
-
26
-
-
80054765290
-
Coupling single molecule magnets to ferromagnetic substrates
-
Lodi Rizzini, A. et al. Coupling single molecule magnets to ferromagnetic substrates. Phys. Rev. Lett. 107, 177205 (2011
-
(2011)
Phys. Rev. Lett
, vol.107
, pp. 177205
-
-
Lodi Rizzini, A.1
-
27
-
-
84885398762
-
Antiferromagnetic coupling of TbPc2 molecules to ultrathin Ni and Co films
-
Klar, D. et al. Antiferromagnetic coupling of TbPc2 molecules to ultrathin Ni and Co films. Beilstein J. Nanotechnol. 4, 320-324 (2013
-
(2013)
Beilstein J. Nanotechnol
, vol.4
, pp. 320-324
-
-
Klar, D.1
-
28
-
-
84908249777
-
Coupling of single, double, and triple-decker metal-phthalocyanine complexes to ferromagnetic and antiferromagnetic substrates
-
Lodi Rizzini, A. et al. Coupling of single, double, and triple-decker metal-phthalocyanine complexes to ferromagnetic and antiferromagnetic substrates. Surf. Sci. 630, 361-374 (2014
-
(2014)
Surf. Sci
, vol.630
, pp. 361-374
-
-
Lodi Rizzini, A.1
-
29
-
-
60749105988
-
Magnetic memory of a single-molecule quantum magnet wired to a gold surface
-
Mannini, M. et al. Magnetic memory of a single-molecule quantum magnet wired to a gold surface. Nat. Mater. 8, 194-197 (2009
-
(2009)
Nat. Mater
, vol.8
, pp. 194-197
-
-
Mannini, M.1
-
30
-
-
84907339100
-
Magnetic behaviour of TbPc2 single-molecule magnets chemically grafted on silicon surface
-
Article number: 4582
-
Mannini, M. et al. Magnetic behaviour of TbPc2 single-molecule magnets chemically grafted on silicon surface. Nat. Commun. 5, Article number: 4582 (2014
-
(2014)
Nat. Commun
, vol.5
-
-
Mannini, M.1
-
31
-
-
84892861796
-
Gold nanoparticle assemblies stabilized by bis(phthalocyaninato) lanthanide(III) complexes through van der Waals interactions
-
Noda, Y., Noro, S.-i., Akutagawa, T. & Nakamura, T. Gold nanoparticle assemblies stabilized by bis(phthalocyaninato) lanthanide(III) complexes through van der Waals interactions. Sci. Rep. 4, 3758 (2014
-
(2014)
Sci. Rep
, vol.4
, pp. 3758
-
-
Noda, Y.1
Noro, S.-I.2
Akutagawa, T.3
Nakamura, T.4
-
32
-
-
84893149914
-
Grafting single molecule magnets on gold nanoparticles
-
Perfetti, M. et al. Grafting single molecule magnets on gold nanoparticles. Small 10, 323-329 (2014
-
(2014)
Small
, vol.10
, pp. 323-329
-
-
Perfetti, M.1
-
33
-
-
37549039510
-
A short history of SHELX. Acta Crystallogr
-
Sheldrick, G. M., A short history of SHELX. Acta Crystallogr., Sect. A: Found. Crystallogr. 64, 112 (2008
-
(2008)
Sect. A: Found. Crystallogr
, vol.64
, pp. 112
-
-
Sheldrick, G.M.1
-
34
-
-
0141452964
-
WinGX suite for small-molecule single-crystal crystallography
-
Farrugia L. J., WinGX suite for small-molecule single-crystal crystallography. J. Appl. Crystallogr. 32, 837 (1999
-
(1999)
J. Appl. Crystallogr
, vol.32
, pp. 837
-
-
Farrugia, L.J.1
-
35
-
-
33744498094
-
Mercury: Visualization and analysis of crystal structures
-
Macrae, C. F. et al. Mercury: Visualization and analysis of crystal structures. J. Appl. Crystallogr. 39, 453 (2006
-
(2006)
J. Appl. Crystallogr
, vol.39
, pp. 453
-
-
MacRae, C.F.1
-
36
-
-
84859061927
-
The ORCA program system
-
Neese, F. The ORCA program system. WIREs Comput Mol Sci 2, 73-78 (2012
-
(2012)
WIREs Comput Mol Sci
, vol.2
, pp. 73-78
-
-
Neese, F.1
-
37
-
-
0037880444
-
Relativistic regular 2-component Hamiltonians
-
van Lenthe, E., Baerends, E. J. & Snijders, J. G. Relativistic regular 2-component Hamiltonians. J. Chem. Phys. 99, 4597-4610 (1993
-
(1993)
J. Chem. Phys
, vol.99
, pp. 4597-4610
-
-
Van Lenthe, E.1
Baerends, E.J.2
Snijders, J.G.3
-
38
-
-
0038346162
-
Molecular density functional calculations in the regular relativistic approximation: Method, application to coinage metal diatomics, hydrides, fluorides and chlorides, and comparison with first-order relativistic calculations
-
van Wullen, C. Molecular density functional calculations in the regular relativistic approximation: Method, application to coinage metal diatomics, hydrides, fluorides and chlorides, and comparison with first-order relativistic calculations. J. Chem. Phys. 109, 392-399 (1998
-
(1998)
J. Chem. Phys
, vol.109
, pp. 392-399
-
-
Van Wullen, C.1
-
39
-
-
56749129924
-
All-electron scalar relativistic basis sets for third-row transition metal atoms
-
Pantazis, D. A., Chen, X.-Y., Landis, C. R. & Neese, F. All-electron scalar relativistic basis sets for third-row transition metal atoms. J. Chem. Theory Comput. 4, 908-919 (2008
-
(2008)
J. Chem. Theory Comput
, vol.4
, pp. 908-919
-
-
Pantazis, D.A.1
Chen, X.-Y.2
Landis, C.R.3
Neese, F.4
-
40
-
-
0000216001
-
Accurate spin-dependent electron liquid correlation energies for local spin-density calculations - A critical analysis
-
Vosko, S. H., Wilk, L. & Nusair, M. Accurate spin-dependent electron liquid correlation energies for local spin-density calculations - a critical analysis. Can. J. Phys. 58, 1200-1211 (1980
-
(1980)
Can. J. Phys
, vol.58
, pp. 1200-1211
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
41
-
-
0345491105
-
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
-
Lee, C. T., Yang, W. T. & Parr, R. G. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Phys. Rev. B 37, 785-789 (1988
-
(1988)
Phys. Rev
, vol.B37
, pp. 785-789
-
-
Lee, C.T.1
Yang, W.T.2
Parr, R.G.3
-
42
-
-
0000189651
-
Density-functional thermochemistry 3 the role of exact exchange
-
Becke, A. D. Density-functional thermochemistry. 3. The role of exact exchange. J. Chem. Phys. 98, 5648-5652 (1993
-
(1993)
J. Chem. Phys
, vol.98
, pp. 5648-5652
-
-
Becke, A.D.1
-
43
-
-
33751157732
-
Ab-initio calculation of vibrational absorption circular-dichroism spectra using density-functional force-fields
-
Stephens, P. J., Devlin, F. J., Chabalowski, C. F. & Frisch, M. J. Ab-initio calculation of vibrational absorption circular-dichroism spectra using density-functional force-fields. J. Phys. Chem. 98, 11623-11627 (1994
-
(1994)
J. Phys. Chem
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
44
-
-
59349105675
-
Efficient approximate and parallel Hartree-Fock and hybrid DFT calculations A 'chain-of-spheres' algorithm for the Hartree-Fock exchange
-
Neese, F., Wennmohs, F., Hansen, A. & Becker, U. Efficient, approximate and parallel Hartree-Fock and hybrid DFT calculations. A 'chain-of-spheres' algorithm for the Hartree-Fock exchange. Chem. Phys. 356, 98-109 (2009
-
(2009)
Chem. Phys
, vol.356
, pp. 98-109
-
-
Neese, F.1
Wennmohs, F.2
Hansen, A.3
Becker, U.4
-
45
-
-
45149146260
-
The CASSCF state interaction method
-
Malmqvist, P. A. & Roos, B. O. The CASSCF state interaction method. Chem. Phys. Lett. 155, 189-194 (1989
-
(1989)
Chem. Phys. Lett
, vol.155
, pp. 189-194
-
-
Malmqvist, P.A.1
Roos, B.O.2
-
46
-
-
0035875479
-
Introduction of n-electron valence states for multireference perturbation theory
-
Angeli, C., Cimiraglia, R., Evangelisti, S., Leininger, T. & Malrieu, J. P. Introduction of n-electron valence states for multireference perturbation theory. J. Chem. Phys. 114, 10252-10264 (2001
-
(2001)
J. Chem. Phys
, vol.114
, pp. 10252-10264
-
-
Angeli, C.1
Cimiraglia, R.2
Evangelisti, S.3
Leininger, T.4
Malrieu, J.P.5
-
47
-
-
0035930952
-
N-electron valence state perturbation theory: A fast implementation of the strongly contracted variant
-
Angeli, C., Cimiraglia, R. & Malrieu, J. P. N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant. Chem.Phys. Lett. 350, 297-305 (2001
-
(2001)
Chem.Phys. Lett
, vol.350
, pp. 297-305
-
-
Angeli, C.1
Cimiraglia, R.2
Malrieu, J.P.3
-
48
-
-
0037159973
-
N-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants
-
Angeli, C., Cimiraglia, R. & Malrieu, J. P. n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants. J. Chem. Phys. 117, 9138-9153 (2002
-
(2002)
J. Chem. Phys
, vol.117
, pp. 9138-9153
-
-
Angeli, C.1
Cimiraglia, R.2
Malrieu, J.P.3
-
49
-
-
4644262862
-
A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach
-
Angeli, C., Borini, S., Cestari, M. & Cimiraglia, R. A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach. J. Chem. Phys. 121, 4043-4049 (2004
-
(2004)
J. Chem. Phys
, vol.121
, pp. 4043-4049
-
-
Angeli, C.1
Borini, S.2
Cestari, M.3
Cimiraglia, R.4
-
50
-
-
32144464740
-
Third-order multireference perturbation theory: The n-electron valence state perturbation-theory approach
-
Angeli, C., Bories, B., Cavallini, A. & Cimiraglia, R. Third-order multireference perturbation theory: The n-electron valence state perturbation-theory approach. J. Chem. Phys. 124, 054108 (2006
-
(2006)
J. Chem. Phys
, vol.124
, pp. 054108
-
-
Angeli, C.1
Bories, B.2
Cavallini, A.3
Cimiraglia, R.4
-
51
-
-
33746069695
-
First-principles calculations of zero-field splitting parameters
-
Ganyushin, D. & Neese, F. First-principles calculations of zero-field splitting parameters. J. Chem. Phys. 125, 024103 (2006
-
(2006)
J. Chem. Phys
, vol.125
, pp. 024103
-
-
Ganyushin, D.1
Neese, F.2
-
52
-
-
22944473686
-
Efficient and accurate approximations to the molecular spin-orbit coupling operator and their use in molecular g-tensor calculations
-
Neese, F. Efficient and accurate approximations to the molecular spin-orbit coupling operator and their use in molecular g-tensor calculations. J. Chem. Phys. 122, 034107 (2005
-
(2005)
J. Chem. Phys
, vol.122
, pp. 034107
-
-
Neese, F.1
-
53
-
-
73949156858
-
Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians
-
Maurice, R. et al. Universal Theoretical Approach to Extract Anisotropic Spin Hamiltonians. J. Chem. Theory Comput. 5, 2977-2984 (2009
-
(2009)
J. Chem. Theory Comput
, vol.5
, pp. 2977-2984
-
-
Maurice, R.1
|