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Laura Hermosilla
Laura Hermosilla
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Year
Density functional theory predictions of isotropic hyperfine coupling constants
L Hermosilla, P Calle, JM García De La Vega, C Sieiro
The Journal of Physical Chemistry A 109 (6), 1114-1124, 2005
1262005
Raman Detection of “Ambiguous” Conjugated Biradicals: Rapid Thermal Singlet‐to‐Triplet Intersystem Crossing in an Extended Viologen
J Casado, S Patchkovskii, MZ Zgierski, L Hermosilla, C Sieiro, ...
Angewandte Chemie 120 (8), 1465-1468, 2008
592008
Density Functional Theory Study of 14N Isotropic Hyperfine Coupling Constants of Organic Radicals
L Hermosilla, P Calle, JM García de La Vega, C Sieiro
The Journal of Physical Chemistry A 110 (50), 13600-13608, 2006
562006
Theoretical Isotropic Hyperfine Coupling Constants of Third-Row Nuclei (29Si, 31P, and 33S)
L Hermosilla, P Calle, JM García de la Vega, C Sieiro
The Journal of Physical Chemistry A 109 (33), 7626-7635, 2005
542005
DFT calculations of isotropic hyperfine coupling constants of nitrogen aromatic radicals: the challenge of nitroxide radicals
L Hermosilla, JMG Vega, C Sieiro, P Calle
Journal of Chemical Theory and Computation 7 (1), 169-179, 2011
462011
Kinetic and Mechanistic Study on p-Quinodimethane Formation in the Sulfinyl Precursor Route for the Polymerization of Poly(p-phenylenevinylene) (PPV)
L Hermosilla, S Catak, V Van Speybroeck, M Waroquier, J Vandenbergh, ...
Macromolecules 43 (18), 7424-7433, 2010
262010
Competitive reactions of organophosphorus radicals on coke surfaces
S Catak, K Hemelsoet, L Hermosilla, M Waroquier, V Van Speybroeck
Chemistry–A European Journal 17 (43), 12027-12036, 2011
232011
Modeling of cw-EPR spectra of propagating radicals in methacrylic polymerization at different temperatures
L Hermosilla, C Sieiro, P Calle, M Zerbetto, A Polimeno
The Journal of Physical Chemistry B 112 (36), 11202-11208, 2008
202008
Polymerization of methyl methacrylate with lithium triflate. A kinetic and structural study
L Hermosilla, P Calle, P Tiemblo, N García, L Garrido, J Guzmán
Macromolecules 46 (14), 5445-5454, 2013
192013
DFT study of the EPR spectral pattern of propagating methacrylic radicals
L Hermosilla, P Calle, C Sieiro, N García, P Tiemblo, J Guzmán
Chemical Physics 340 (1-3), 237-244, 2007
192007
O–O Bond activation in H 2 O 2 and (CH 3) 3 C-OOH mediated by [Ni (cyclam)(CH 3 CN) 2](ClO 4) 2: Different mechanisms to form the same Ni (iii) product?
X Solans-Monfort, JLG Fierro, L Hermosilla, C Sieiro, M Sodupe, ...
Dalton Transactions 40 (26), 6868-6876, 2011
182011
Possibility of [1, 5] Sigmatropic Shifts in Bicyclo [4.2. 0] octa-2, 4-dienes
H Goossens, JM Winne, S Wouters, L Hermosilla, PJ De Clercq, ...
The Journal of Organic Chemistry 80 (5), 2609-2620, 2015
162015
Modeling EPR parameters of nitrogen containing conjugated radical cations
L Hermosilla, P Calle, JMG de la Vega
RSC advances 5 (77), 62551-62562, 2015
112015
Assignments of Hyperfine Splittings by DFT Methods of Radicals Containing 33S (I = 3/2), 31P(I = 1/2), and 29Si (I = 1/2) Nuclei
L Hermosilla, P Calle, C Sieiro
Phosphorus, Sulfur, and Silicon and the Related Elements 180 (5-6), 1421-1422, 2005
112005
On the Road to MM′ X Polymers: Redox Properties of Heterometallic Ni··· Pt Paddlewheel Complexes
M Gennari, G Givaja, O Castillo, L Hermosilla, CJ Gomez-Garcia, ...
Inorganic Chemistry 53 (19), 10553-10562, 2014
92014
Extension of the AMBER force field for nitroxide radicals and combined QM/MM/PCM approach to the accurate determination of EPR parameters of DMPO-H in solution
L Hermosilla, G Prampolini, P Calle, JM García de la Vega, G Brancato, ...
Journal of chemical theory and computation 9 (8), 3626-3636, 2013
82013
Long-lived radicals in the postpolymerization of methacrylic monomers at low conversions
N García, P Tiemblo, L Hermosilla, C Sieiro, J Guzmán
Macromolecules 38 (18), 7601-7609, 2005
72005
Persistent radicals and transfer reactions in the postpolymerization of methyl methacrylate
N García, P Tiemblo, L Hermosilla, P Calle, C Sieiro, J Guzmán
Macromolecules 40 (23), 8168-8177, 2007
42007
Raman Detection of “Ambiguous” Conjugated Biradicals: An Extended Viologen Undergoing Rapid Thermal Singlet-to-Triplet Intersystem Crossing
J Casado, S Patchkovskii, MZ Zgierski, L Hermosilla, C Sieiro, ...
Angew. Chem., Int. Ed 47, 1443-1446, 2008
22008
Cover Picture: Competitive Reactions of Organophosphorus Radicals on Coke Surfaces (Chem. Eur. J. 43/2011)
S Catak, K Hemelsoet, L Hermosilla, M Waroquier, V Van Speybroeck
Chemistry–A European Journal 17 (43), 11937-11937, 2011
2011
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Articles 1–20