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21 . Academic Journal
Theoretical study of the photoconduction and photomagnetism of the BPY[Ni(dmit)
2
]
2
molecular crystal.
저자
by
Zapata-Rivera, Jhon
;
Sánchez-de-Armas, Rocío
;
Calzado, Carmen J.
.
소스
Dalton Transactions: An International Journal of Inorganic Chemistry
. 9/28/2019, Vol. 48 Issue 36, p13789-13798. 10p.
Full Text (RSC Gold)
Web of Science
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25 . Academic Journal
Evaluation of magnetic terms in Cu4O4 cubane-like systems from selected configuration interaction calculations: A case study of polynuclear transition-metal systems.
저자
by
Calzado, Carmen J.
;
Maynau, Daniel
.
소스
Journal of Chemical Physics
. 11/21/2011, Vol. 135 Issue 19, p194704. 10p.
Full Text (AIP)
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24 . Academic Journal
Microscopic origins of the ferromagnetic exchange coupling in oxoverdazyl-based Cu(II) complex.
저자
by
Rota, Jean-Baptiste
;
Calzado, Carmen J.
;
Train, Cyrille
;
Robert, Vincent
.
소스
Journal of Chemical Physics
. 4/21/2010, Vol. 132 Issue 15, p154702. 6p. 3 Diagrams, 3 Charts.
Full Text (AIP)
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26 . Academic Journal
Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited.
저자
by
Calzado, Carmen J.
;
Angeli, Celestino
;
Taratiel, David
;
Caballol, Rosa
;
Malrieu, Jean-Paul
.
소스
Journal of Chemical Physics
. 7/28/2009, Vol. 131 Issue 4, p044327. 14p. 4 Diagrams, 7 Charts.
Full Text (AIP)
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27 . Academic Journal
A convenient decontraction procedure of internally contracted state-specific multireference algorithms.
저자
by
Angeli, Celestino
;
Calzado, Carmen J.
;
Cimiraglia, Renzo
;
Malrieu, Jean-Paul
.
소스
Journal of Chemical Physics
. 6/21/2006, Vol. 124 Issue 23, p234109. 15p. 5 Charts, 9 Graphs.
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26 . Academic Journal
Direct generation of local orbitals for multireference treatment and subsequent uses for the calculation of the correlation energy.
저자
by
Maynau, Daniel
;
Evangelisti, Stefano
;
Guihe´ry, Nathalie
;
Calzado, Carmen J.
;
Malrieu, Jean-Paul
.
소스
Journal of Chemical Physics
. 6/15/2002, Vol. 116 Issue 23, p10060. 9p. 1 Diagram, 3 Charts, 2 Graphs.
Full Text (AIP)
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27 . Academic Journal
Analysis of the magnetic coupling in binuclear complexes. II. Derivation of valence effective Hamiltonians from ab initio CI and DFT calculations.
저자
by
Calzado, Carmen J.
;
Cabrero, Jesu´s
;
Malrieu, Jean Paul
;
Caballol, Rosa
.
소스
Journal of Chemical Physics
. 3/8/2002, Vol. 116 Issue 10, p3985. 16p. 3 Diagrams, 4 Charts, 5 Graphs.
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26 . Academic Journal
Analysis of the magnetic coupling in binuclear complexes. I. Physics of the coupling.
저자
by
Calzado, Carmen J.
;
Cabrero, Jesu´s
;
Malrieu, Jean Paul
;
Caballol, Rosa
.
소스
Journal of Chemical Physics
. 2/15/2002, Vol. 116 Issue 7, p2728. 20p. 35 Diagrams, 7 Charts, 1 Graph.
Full Text (AIP)
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26 . Periodical
Elucidating the Electronic Structure and Magnetic and Conducting Properties of μ-Oxo Mn-phthalocyanine [MnPc(CN)]2O Complex
저자
by
Montenegro-Pohlhammer, Nicolás
;
Sánchez-de-Armas, Rocío
;
Cárdenas-Jirón, Gloria
;
Calzado, Carmen J.
.
소스
The Journal of Physical Chemistry - Part C; November 2019, Vol. 123 Issue: 46 p28359-28369, 11p
Full Text (ACS)
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26 . Academic Journal
Copper–nitroxide based breathing crystals: a unified mechanism of gradual magnetostructural transition supported by quantum chemistry calculations.
저자
by
Sánchez-de-Armas, Rocío
;
Cruz Hernández, Norge
;
Calzado, Carmen J.
.
소스
Inorganic Chemistry Frontiers; May2019, Vol. 6 Issue 5, p1228-1237, 10p
Full Text (RSC Gold)
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