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 | 143 | 2007 |
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 | 124 | 1999 |
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 | 98 | 2002 |
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 | 81 | 2011 |
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), 4411, 2014 | 79 | 2014 |
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 | 78 | 2010 |
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 | 75 | 1998 |
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 | 74 | 2014 |
π-Electron magnetism: From molecules to magnetic materials J Veciana, D Arčon, M Deumal, K Inoue, M Kinoshita, JJ Novoa, F Palacio, ... Springer, 2001 | 73 | 2001 |
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 | 67 | 2006 |
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 | 65 | 2010 |
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 | 64 | 1998 |
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 | 56 | 2007 |
The mechanism of the through-space magnetic interactions in purely organic molecular magnets JJ Novoa, M Deumal π-Electron Magnetism: From Molecules to Magnetic Materials, 33-60, 2001 | 47 | 2001 |
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 | 47 | 1997 |
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 | 44 | 2015 |
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 | 43 | 2010 |
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 | 41 | 2007 |
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 | 41 | 2004 |
Insights into the magnetism and phase transitions of organic radical-based materials M Deumal, S Vela, M Fumanal, J Ribas-Arino, JJ Novoa Journal of Materials Chemistry C 9 (33), 10624-10646, 2021 | 38 | 2021 |