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Joaquim Jornet Somoza
Joaquim Jornet Somoza
Verified email at mpsd.mpg.de
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Year
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ...
The Journal of Chemical Physics 152 (12), 124119, 2020
2942020
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
1372007
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
782011
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
782010
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‐Ariņo, MJ Bearpark, MA Robb, RG Hicks, ...
Chemistry-A European Journal 12 (15), 3995-4005, 2006
672006
Insights into colour-tuning of chlorophyll optical response in green plants
J Jornet-Somoza, J Alberdi-Rodriguez, BF Milne, X Andrade, ...
Physical Chemistry Chemical Physics 17 (40), 26599-26606, 2015
572015
Insights into colour-tuning of chlorophyll optical response in green plants
J Jornet-Somoza, J Alberdi-Rodriguez, BF Milne, X Andrade, ...
Physical Chemistry Chemical Physics 17 (40), 26599-26606, 2015
572015
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
522007
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
422010
Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems
J Jornet-Somoza, I Lebedeva
Journal of chemical theory and computation 15 (6), 3743-3754, 2019
342019
Synthesis, Structure, Magnetic Behavior, and Theoretical Analysis of Diazine-Bridged Magnetic Ladders: Cu (quinoxoline) X2 and Cu (2, 3-dimethylpyrazine) X2 (X= Cl, Br)
J Jornet-Somoza, N Codina-Castillo, M Deumal, F Mota, JJ Novoa, ...
Inorganic chemistry 51 (11), 6315-6325, 2012
312012
Dividing the Spoils: Role of Pyrazine Ligands and Perchlorate Counterions in the Magnetic Properties of Bis (pyrazine) diperchloratecopper (II),[Cu (pz) 2](ClO4) 2
S Vela, J Jornet-Somoza, MM Turnbull, R Feyerherm, JJ Novoa, ...
Inorganic chemistry 52 (22), 12923-12932, 2013
272013
A generalised 17-state vibronic-coupling Hamiltonian model for ethylene
J Jornet-Somoza, B Lasorne, MA Robb, HD Meyer, D Lauvergnat, F Gatti
The Journal of chemical physics 137 (8), 639, 2012
272012
Covalent C–N Bond Formation through a Surface Catalyzed Thermal Cyclodehydrogenation
I Piskun, R Blackwell, J Jornet-Somoza, F Zhao, A Rubio, SG Louie, ...
Journal of the American Chemical Society 142 (8), 3696-3700, 2020
242020
Vertical transition energies vs. absorption maxima: Illustration with the UV absorption spectrum of ethylene
B Lasorne, J Jornet-Somoza, HD Meyer, D Lauvergnat, MA Robb, F Gatti
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 119, 52-58, 2014
212014
Vertical transition energies vs. absorption maxima: Illustration with the UV absorption spectrum of ethylene
B Lasorne, J Jornet-Somoza, HD Meyer, D Lauvergnat, MA Robb, F Gatti
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 119, 52-58, 2014
212014
The magnetism of (5MAP) 2CuBr4 [5MAP= 5-methyl-2-aminopyridinium]: a quasi-2D or a 3D magnetic system?
J Jornet-Somoza, M Deumal, CP Landee, MM Turnbull, JJ Novoa
Inorganic chemistry 49 (17), 8017-8024, 2010
172010
The origin of the bistability in the thiazyl radical 1, 3, 5-trithia-2, 4, 6-triazapentalenyl (TTTA): A first principles bottom-up investigation of the magnetic properties of …
CS Clarke, J Jornet, M Deumal, JJ Novoa
Polyhedron 28 (9-10), 1614-1619, 2009
162009
On the existence of temperature induced changes in the magnetic topology of crystals that show no first-order crystallographic phase transitions
J Jornet-Somoza, M Deumal, MM Turnbull, JJ Novoa
Polyhedron 28 (9-10), 1965-1971, 2009
162009
A first-principles bottom-up study of the magnetic interaction mechanism in the bulk ferromagnet p-O2N-C6F4-CNSSN
J Jornet, MA Robb, M Deumal, JJ Novoa
Inorganica Chimica Acta 361 (12-13), 3586-3592, 2008
102008
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