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Export 32 results:
Author [ Title(Desc)] Year
Filters: First Letter Of Last Name is V  [Clear All Filters]
A B C D E F G H I J K L M N O P Q R S T U V W X Y Z 
A
M. Vonci, Giansiracusa, M. J., Gable, R. W., Van den Heuvel, W., Latham, K., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue”, Chemical Communications, vol. 52, no. 10, pp. 2091-2094, 2016.
M. Vonci, Giansiracusa, M. J., Gable, R. W., Van den Heuvel, W., Latham, K., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “Ab initio calculations as a quantitative tool in the inelastic neutron scattering study of a single-molecule magnet analogue”, Chemical Communications, vol. 52, no. 10, pp. 2091-2094, 2016.
L. Ungur, Van den Heuvel, W., and Chibotaru, L. F., “Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles”, New Journal of Chemistry, vol. 33, pp. 1224–1230, 2009.
B
W. Van den Heuvel and Chibotaru, L. F., “Basic exchange model: Comparison of Anderson and valence bond configuration interaction approaches and an alternative exchange expression”, Physical Review B, vol. 76, p. 104424, 2007.
C
M. J. Giansiracusa, Vonci, M., Van den Heuvel, W., Gable, R. W., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies”, Inorganic Chemistry, vol. 55, p. 5201, 2016.
M. J. Giansiracusa, Vonci, M., Van den Heuvel, W., Gable, R. W., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “Carbonate-Bridged Lanthanoid Triangles: Single-Molecule Magnet Behavior, Inelastic Neutron Scattering, and Ab Initio Studies”, Inorganic Chemistry, vol. 55, p. 5201, 2016.
W. Van den Heuvel, Hendrickx, M. F. A., and Ceulemans, A., “A CASPT2 study of the electronic spectrum of hexacyanoosmate (III)”, Inorganic chemistry, vol. 46, pp. 8032–8037, 2007.
A. Soncini and Van den Heuvel, W., “Communication: Paramagnetic NMR chemical shift in a spin state subject to zero-field splitting”, The Journal of chemical physics, vol. 138, p. 021103, 2013.
A. Soncini and Van den Heuvel, W., “Complete spectrum of the infinite-U Hubbard ring using group theory”, The Journal of chemical physics, vol. 140, p. 184113, 2014.
W. Van den Heuvel, Calvello, S., and Soncini, A., “Configuration-averaged 4f orbitals in ab initio calculations of low-lying crystal field levels in lanthanide (III) complexes”, Physical Chemistry Chemical Physics, 2016.
D
W. Van den Heuvel and Soncini, A., “Dirac cones in the spectrum of bond-decorated graphenes”, The Journal of chemical physics, vol. 140, p. 234114, 2014.
W. Van den Heuvel and Chibotaru, L. F., “Dysprosium-based experimental representatives of an Ising-Heisenberg chain and a decorated Ising ring”, Physical Review B, vol. 82, p. 174436, 2010.
E
A. Soncini, Viglione, R. G., Zanasi, R., Fowler, P. W., and Jenneskens, L. W., “Efficient mapping of ring currents in fullerenes and other curved carbon networks”, Comptes Rendus Chimie, vol. 9, pp. 1085–1093, 2006.
W. Van den Heuvel and Chibotaru, L. F., “Elucidation of the Magnetism of [Co2PdCl2 (dpa) 4]: Origin of a Large Temperature Domain of TIP Behavior”, Inorganic chemistry, vol. 48, pp. 7557–7563, 2009.
F
D. Maynau, Bolvin, H., Van den Heuvel, W., Bénard, M., Rohmer, M. - M., and Ben Amor, N., “Ferromagnetic coupling induced by spin-orbit coupling in dipyridylamide linear trinuclear Cu-Pd-Cu and Cu-Pt-Cu complexes”, Comptes Rendus Chimie, vol. 15, pp. 170–175, 2012.
K. R. Vignesh, Soncini, A., Langley, S. K., Wernsdorfer, W., Murray, K. S., and Rajaraman, G., “Ferrotoroidic ground state in a heterometallic CrIIIDyIII6 complex displaying slow magnetic relaxation”, Nature Communications, vol. 8, p. 1023, 2017.
D. Visinescu, Madalan, A. M., Andruh, M., Duhayon, C., Sutter, J. - P., Ungur, L., Van den Heuvel, W., and Chibotaru, L. F., “First Heterotrimetallic $\{$3 d-4 d-4 f$\}$ Single Chain Magnet, Constructed from Anisotropic High-Spin Heterometallic Nodes and Paramagnetic Spacers”, Chemistry–A European Journal, vol. 15, pp. 11808–11814, 2009.
D. Visinescu, Madalan, A. M., Andruh, M., Duhayon, C., Sutter, J. - P., Ungur, L., Van den Heuvel, W., and Chibotaru, L. F., “First Heterotrimetallic $\{$3 d-4 d-4 f$\}$ Single Chain Magnet, Constructed from Anisotropic High-Spin Heterometallic Nodes and Paramagnetic Spacers”, Chemistry–A European Journal, vol. 15, pp. 11808–11814, 2009.
L
H. Huang, Van den Heuvel, W., and Soncini, A., “Lanthanide-Radical Magnetic Coupling in [LnPc2]0: Competing Exchange Mechanisms Captured via Ab Initio Multi-Reference Calculations”, QUANTUM MATERIALS RESEARCH, vol. 1, p. e200003, 2020.
M
M. Vonci, Giansiracusa, M. J., Van den Heuvel, W., Gable, R. W., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study”, Inorganic Chemistry, vol. 56, pp. 378-394, 2017.
M. Vonci, Giansiracusa, M. J., Van den Heuvel, W., Gable, R. W., Moubaraki, B., Murray, K. S., Yu, D., Mole, R. A., Soncini, A., and Boskovic, C., “Magnetic Excitations in Polyoxotungstate-Supported Lanthanoid Single-Molecule Magnets: An Inelastic Neutron Scattering and ab Initio Study”, Inorganic Chemistry, vol. 56, pp. 378-394, 2017.
N
W. Van den Heuvel and Soncini, A., “NMR chemical shift as analytical derivative of the Helmholtz free energy”, The Journal of chemical physics, vol. 138, p. 054113, 2013.
W. Van den Heuvel and Soncini, A., “NMR chemical shift in an electronic state with arbitrary degeneracy”, Physical review letters, vol. 109, no. 7, p. 073001, 2012.
O
J. Rinck, Novitchi, G., Van den Heuvel, W., Ungur, L., Lan, Y., Wernsdorfer, W., Anson, C. E., Chibotaru, L. F., and Powell, A. K., “An Octanuclear [CrIII4DyIII4] 3d–4f Single-Molecule Magnet”, Angewandte Chemie International Edition, vol. 49, pp. 7583–7587, 2010.
R
S. Marocchi, Candini, A., Klar, D., Van den Heuvel, W., Huang, H., Troiani, F., Corradini, V., Biagi, R., De Renzi, V., Klyatskaya, S., Kummer, K., Brookes, N. B., Ruben, M., Wende, H., del Pennino, U., Soncini, A., Affronte, M., and Bellini, V., “Relay-Like Exchange Mechanism through a Spin Radical between TbPc2 Molecules and Graphene/Ni(111) Substrates”, ACS Nano, vol. 10, pp. 9353-9360, 2016.