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Merce Deumal
Merce Deumal
Bestätigte E-Mail-Adresse bei ub.edu
Titel
Zitiert von
Zitiert von
Jahr
Synthesis, structure, and magnetic properties of an antiferromagnetic spin-ladder complex: Bis (2, 3-dimethylpyridinium) tetrabromocuprate
A Shapiro, CP Landee, MM Turnbull, J Jornet, M Deumal, JJ Novoa, ...
Journal of the American Chemical Society 129 (4), 952-959, 2007
1302007
Structure–Magnetism Relationships in α‐Nitronyl Nitroxide Radicals
M Deumal, J Cirujeda, J Veciana, JJ Novoa
Chemistry–A European Journal 5 (5), 1631-1642, 1999
1211999
Magnetic properties of organic molecular crystals via an algebraic Heisenberg Hamiltonian. Applications to WILVIW, TOLKEK, and KAXHAS nitronyl nitroxide crystals
M Deumal, MJ Bearpark, JJ Novoa, MA Robb
The Journal of Physical Chemistry A 106 (7), 1299-1315, 2002
912002
On the validity of the mcconnell-i model of ferromagnetic interactions: The [2.2] paracyclophane example
M Deumal, JJ Novoa, MJ Bearpark, P Celani, M Olivucci, MA Robb
The Journal of Physical Chemistry A 102 (43), 8404-8412, 1998
721998
S=1/2 One‐Dimensional Random‐Exchange Ferromagnetic Zigzag Ladder, Which Exhibits Competing Interactions in a Critical Regime
SN Herringer, M Deumal, J Ribas‐Arino, JJ Novoa, CP Landee, ...
Chemistry–A European Journal 20 (27), 8355-8362, 2014
712014
Origin of the magnetic bistability in molecule-based magnets: a first-principles bottom-up study of the TTTA crystal
CS Clarke, J Jornet-Somoza, F Mota, JJ Novoa, M Deumal
Journal of the American Chemical Society 132 (50), 17817-17830, 2010
702010
Calculation of microscopic exchange interactions and modelling of macroscopic magnetic properties in molecule-based magnets
JJ Novoa, M Deumal, J Jornet-Somoza
Chemical Society Reviews 40 (6), 3182-3212, 2011
662011
Direct versus Mediated Through‐Space Magnetic Interactions: A First Principles, Bottom‐Up Reinvestigation of the Magnetism of the Pyridyl‐Verdazyl: Hydroquinone Molecular Co …
J Jornet, M Deumal, J Ribas‐Ariño, MJ Bearpark, MA Robb, RG Hicks, ...
Chemistry–A European Journal 12 (15), 3995-4005, 2006
662006
π-Electron magnetism: From molecules to magnetic materials
D Arcon, M Deumal, K Inoue, M Kinoshita, JJ Novoa, F Palacio, ...
Springer, 2003
602003
Structure–Magnetism Relationships in α‐Nitronyl Nitroxide Radicals: Pitfalls and Lessons to be Learned
M Deumal, J Cirujeda, J Veciana, JJ Novoa
Advanced Materials 10 (17), 1461-1466, 1998
591998
Studying the Origin of the Antiferromagnetic to Spin‐Canting Transition in the β‐p‐NCC6F4CNSSN. Molecular Magnet
M Deumal, JM Rawson, AE Goeta, JAK Howard, RCB Copley, MA Robb, ...
Chemistry–A European Journal 16 (9), 2741-2750, 2010
582010
The key role of vibrational entropy in the phase transitions of dithiazolyl-based bistable magnetic materials
S Vela, F Mota, M Deumal, R Suizu, Y Shuku, A Mizuno, K Awaga, ...
Nature communications 5 (1), 1-9, 2014
572014
The mechanism of the through-space magnetic interactions in purely organic molecular magnets
JJ Novoa, M Deumal
π-Electron Magnetism, 33-60, 2001
442001
Synthesis, structure, and magnetic behavior of bis (2-amino-5-fluoropyridinium) tetrachlorocuprate (II)
L Li, MM Turnbull, CP Landee, J Jornet, M Deumal, JJ Novoa, JL Wikaira
Inorganic chemistry 46 (26), 11254-11265, 2007
432007
Modeling photochemical [4+ 4] cycloadditions: conical intersections located with CASSCF for butadiene+ butadiene
MJ Bearpark, M Deumal, MA Robb, T Vreven, N Yamamoto, M Olivucci, ...
Journal of the American Chemical Society 119 (4), 709-718, 1997
421997
The Mechanism of Magnetic Interactions in the Bulk Ferromagnet para‐(Methylthio)Phenyl Nitronyl Nitroxide (YUJNEW): A First Principles, Bottom‐Up, Theoretical …
M Deumal, MJ Bearpark, MA Robb, Y Pontillon, JJ Novoa
Chemistry–A European Journal 10 (24), 6422-6432, 2004
392004
First-Principles Bottom-Up Study of 1D to 3D Magnetic Transformation in the Copper Pyrazine Dinitrate S = 1/2 Antiferromagnetic Crystal
J Jornet-Somoza, M Deumal, MA Robb, CP Landee, MM Turnbull, ...
Inorganic chemistry 49 (4), 1750-1760, 2010
382010
A theoretical study of the magnetism of the α-p-cyano-tetrafluorophenyl-dithiadiazolyl radical using a first principles bottom-up procedure
M Deumal, S LeRoux, JM Rawson, MA Robb, JJ Novoa
Polyhedron 26 (9-11), 1949-1958, 2007
372007
Dynamical effects on the magnetic properties of dithiazolyl bistable materials
S Vela, M Deumal, M Shiga, JJ Novoa, J Ribas-Arino
Chemical science 6 (4), 2371-2381, 2015
322015
Theoretical analysis of the crystal packing of nitronyl nitroxide radicals: the packing of the α-2-hydro nitronyl nitroxide radical
M Deumal, J Cirujeda, J Veciana, M Kinoshita, Y Hosokoshi, JJ Novoa
Chemical physics letters 265 (1-2), 190-199, 1997
311997
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