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Juan J. Novoa
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Evaluation of the density functional approximation on the computation of hydrogen bond interactions
JJ Novoa, C Sosa
The Journal of Physical Chemistry 99 (43), 15837-15845, 1995
3491995
Choice of Coordination Number in d10 Complexes of Group 11 Metals
MA Carvajal, JJ Novoa, S Alvarez
Journal of the American Chemical Society 126 (5), 1465-1477, 2004
2192004
Strain index, lattice softness and superconductivity of organic donor-molecule salts: Crystal and electronic structures of three isostructural salts k-(BEDT-TTF) 2Cu [N (CN) 2 …
U Geiser, AJ Schults, HH Wang, DM Watkins, DL Stupka, JM Williams, ...
Physica C: Superconductivity 174 (4-6), 475-486, 1991
2121991
The C–H⋯ π bonds: strength, identification, and hydrogen-bonded nature: a theoretical study
JJ Novoa, F Mota
Chemical Physics Letters 318 (4-5), 345-354, 2000
1852000
Exceptionally Long (≥2.9 Å) C−C Bonds between [TCNE] Ions: Two‐Electron, Four‐Center π*–π* C−C Bonding in π‐[TCNE]22−
JJ Novoa, P Lafuente, RE Del Sesto, JS Miller
Angewandte Chemie International Edition 40 (13), 2540-2545, 2001
1772001
High-temperature magnetic ordering in a new organic magnet
F Palacio, G Antorrena, M Castro, R Burriel, J Rawson, JNB Smith, ...
Physical review letters 79 (12), 2336, 1997
1711997
Four-Center Carbon− Carbon Bonding
JS Miller, JJ Novoa
Accounts of chemical research 40 (3), 189-196, 2007
1652007
Magnetic coupling in end-to-end azido-bridged copper and nickel binuclear complexes: A theoretical study
F Fabrizi De Biani, E Ruiz, J Cano, JJ Novoa, S Alvarez
Inorganic Chemistry 39 (15), 3221-3229, 2000
1642000
A theoretical study of the ionic dissociation of HF, HCl, and H2S in water clusters
C Lee, C Sosa, M Planas, JJ Novoa
The Journal of chemical physics 104 (18), 7081-7085, 1996
1611996
Exceptionally Long (≥2.9 Å) CC Bonding Interactions in π‐[TCNE]22− Dimers: Two‐Electron Four‐Center Cation‐Mediated CC Bonding Interactions Involving π …
RE Del Sesto, JS Miller, P Lafuente, JJ Novoa
Chemistry–A European Journal 8 (21), 4894-4908, 2002
1532002
The Nature of Intermolecular CuI⋅⋅⋅CuI Interactions: A Combined Theoretical and Structural Database Analysis
MA Carvajal, S Alvarez, JJ Novoa
Chemistry–A European Journal 10 (9), 2117-2132, 2004
1482004
C H… S and S… S: Two major forces in organic conductors
JJ Novoa, MC Rovira, C Rovira, J Veciana, J Tarrés
Advanced Materials 7 (2), 233-237, 1995
1331995
Synthesis, crystal structures, electronic structure and magnetic behaviour of the trithiatriazapentalenyl radical, C2S3N3Electronic supplementary information (ESI) available …
GD McManus, JM Rawson, N Feeder, J van Duijn, EJL McInnes, ...
Journal of Materials Chemistry 11 (8), 1992-2003, 2001
1322001
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
Comparative Analysis of the Multicenter, Long Bond in [TCNE]·− and Phenalenyl Radical Dimers: A Unified Description of Multicenter, Long Bonds
F Mota, JS Miller, JJ Novoa
Journal of the American Chemical Society 131 (22), 7699-7707, 2009
1242009
Interaction energies associated with short intermolecular contacts of C–H bonds. Ab initio computational study of the C–H⋅⋅⋅O contact interaction in CH4⋅⋅⋅OH …
JJ Novoa, B Tarron, MH Whangbo, JM Williams
The Journal of chemical physics 95 (7), 5179-5186, 1991
1241991
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
On the hydrogen bond nature of the C–H⋯ F interactions in molecular crystals. An exhaustive investigation combining a crystallographic database search and ab initio theoretical …
E D'Oria, JJ Novoa
CrystEngComm 10 (4), 423-436, 2008
1192008
Ligand macrocycle structural effects on copper− dioxygen reactivity
BMT Lam, JA Halfen, VG Young, JR Hagadorn, PL Holland, A Lledós, ...
Inorganic chemistry 39 (18), 4059-4072, 2000
1162000
On the bonding nature of the M. cntdot.. cntdot.. cntdot. M interactions in dimers of square-planar Pt (II) and Rh (I) complexes
JJ Novoa, G Aullon, P Alemany, S Alvarez
Journal of the American Chemical Society 117 (27), 7169-7171, 1995
1161995
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