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6572 results: 6532 articles and 40 books or book chapters
Last updated: Apr 22, 2025-
361 Non-adiabatic electronic relaxation of tetracene from its brightest singlet excited state
A. Scognamiglio, K. S. Thalmann, S. Hartweg, N. Rendler, L. Bruder, P. B. Coto, M. Thoss, and F. Stienkemeier
J. Chem. Phys. 161, 024302 (2024). -
362 APOST-3D: chemical concepts from wavefunction analysis
P. Salvador, E. Ramos-Cordoba, M. Montilla, L. Pujal, and M. Gimferrer
J. Chem. Phys. 160, 172502 (2024). -
363 Planar tetracoordinate beryllium in σ-aromatic Li4Be and Na4Be clusters: a missing member in first-octal row planar tetracoordinate family
L. -hong Miao, L. -juan Cui, H. Zhang, M. Orozco-Ic, Y. -F. Yang, S. Pan, and Z. -huaCui
J. Chem. Phys. 161, 244303 (2024). -
364 Assessing the global natural orbital functional approximation on model systems with strong correlation
I. Mitxelena, and M. Piris
J. Chem. Phys. 160, 204106 (2024). -
365 Intramolecular singlet fission: quantum dynamical simulations including the effect of the laser field
S. R. Reddy, P. B. Coto, and M. Thoss
J. Chem. Phys. 160, 194306 (2024). -
366 Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
L. A. Montero-Cabrera, A. L. Montero-Alejo, A. Aspuru-Guzik, J. M. G. de la Vega, M. Piris, L. A. Diaz-Fernandez, Y. Perez-Badell, A. Guerra-Barroso, J. E. Alfonso-Ramos, J. Rodriguez, M. E. Fuentes, and C. M. de Armas
J. Chem. Phys. 160, 214108 (2024). -
367 Time evolution of natural orbitals in ab initio molecular dynamics
A. Rivero Santamaria, and M. Piris
J. Chem. Phys. 160, 071102 (2024). -
368 Electronic couplings for triplet-triplet annihilation upconversion in cystal rubrene
A. Diaz-Andres, C. Tonnele, and D. Casanova
J. Chem. Theory Comput. 20, 4288 (2024). -
369 Electron-spin relaxation in boron-doped graphene nanoribbons
R. A. Boto, A. Cebreiro-Gallardo, R. E. Menchon, and D. Casanova
J. Chem. Theory Comput. 20, 9906 (2024). -
370 Physically motivated improvements of variational quantum eigensolvers
N. Vaquero-Sabater, A. Carreras, R. Orus, N. J. Mayhall, and D. Casanova
J. Chem. Theory Comput. 20, 5133 (2024). -
371 Small-occupation density functional correlation energy correction to wave function approximations
J. A. Rodriguez-Jimenez, A. Carreras, and D. Casanova
J. Chem. Theory Comput. 20, 1118 (2024). -
372 Spurious oscillations caused by density functional approximations: Who is to blame? Exchange or correlation?
S. P. Sitkiewicz, R. R. Ferradas, E. Ramos-Cordoba, R. Zalesny, E. Matito, and J. M. Luis
J. Chem. Theory Comput. 20, 3144 (2024). -
373 Excited states by coupling Piris natural orbital functionals with the extended random-phase approximation
J. F. H. Lew-Yee, I. A. Bonfil-Rivera, M. Piris, and J. M. del Campo
J. Chem. Theory Comput. 20, 2140 (2024). -
374 Adaptive multi-stage integration schemes for Hamiltonian Monte Carlo
L. Nagar, M. Fernandez-Pendas, J. M. Sanz-Serna, and E. Akhmatskaya
J. Comput. Phys. 502, 112800 (2024). -
375 Growth history and quasar bias evolution at z < 3 from Quaia
G. Piccirilli, G. Fabbian, D. Alonso, K. Storey-Fisher, J. Carron, A. Lewis, and C. Garcia-Garcia
J. Cosmol. Astropart. Phys. 2024(06), 012 (2024). -
376 The effective field theory of large-scale structure and multi-tracer II:redshift space and realistic tracers
T. Mergulhao, H. Rubirab, and R. Voivodicc
J. Cosmol. Astropart. Phys. 2024(01), 008 (2024). -
377 Cosmic shear with small scales: DES-Y3, KiDS-1000 and HSC-DR1
C. Garcia-Garcia, M. Zennaro, G. Arico, D. Alonso, and R. E. Angulo
J. Cosmol. Astropart. Phys. 2024(08), 24 (2024). -
378 Galaxy bias in the era of LSST: perturbative bias expansions
A. Nicola, B. Hadzhiyska, N. Findlay, C. Garcia-Garcia, D. Alonso, A. Slosar, Z. Guo, N. Kokron, R. Angulo, A. Aviles, J. Blazek, J. Dunkley, B. Jain, M. Pellejero, J. Sullivan, C. W. Walter, and M. Zennaro
J. Cosmol. Astropart. Phys. 2024(02), 15 (2024). -
379 Theory of circular dichroism in angle- and spin-resolved photoemission from the surface state on Bi(111)
E. E. Krasovskii
J. Electron Spectrosc. Relat. Phenom. 277, 147501 (2024). -
380 Study of paraffinic and biobased microencapsulated PCMs with reduced graphene oxide as thermal energy storage elements in cement-based materials for building applications
E. Erkizia, C. Strunz, J. -l. Dauvergne, G. Goracci, I. Peralta, A. Serrano, A. Ortega, B. Alonso, F. Zanoni, M. Duengfelder, J. S. Dolado, J. J. Gaitero, C. Mankel, and E. Koenders
J. Energy Storage 84, 110675 (2024).