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5460 results: 5420 articles and 40 books or book chapters
Last updated: 11/05/2023-
41 Few electron systems confined in Gaussian potential wells and connection to Hooke atoms
X. Telleria-Allika, J. M. Mercero, J. M. Ugalde, X. Lopez, and J. M. Matxain
Int. J. Quantum Chem. 123, 5 (2023). -
42 Aufbau principle and singlet-triplet gap in spherical Hooke atoms
X. Telleria-Allika, J. M. Ugalde, E. Matito, E. Ramos-Cordoba, M. Rodriguez-Mayorga, and X. Lopez
Int. J. Quantum Chem. 123, e27019 (2023). -
43 Parameter and q asymptotics of Lq$$ textbackslashmathfrakL_q $$-norms of hypergeometric orthogonal polynomials
N. Sobrino, and J. S. Dehesa
Int. J. Quantum Chem. 123, e27013 (2023). -
44 Spark plasma sintering and optical properties of Tm3+and Tm3+/Yb3+doped NaLaF4 transparent glass-ceramics
M. Sedano, S. Babu, R. Balda, J. Fernandez, A. Duran, and M. J. Pascual
J. Alloy. Compd. 948, 169552 (2023). -
45 Understanding the effect of MPEG-PCE's microstructure on the adsorption and hydration of OPC
I. Emaldi, E. Erkizia, J. R. Leiza, and J. S. Dolado
J. Am. Ceram. Soc. 106, 2567 (2023). -
46 Molecular Berry curvatures and the adiabatic response tensors
R. Resta
J. Chem. Phys. 158, 024105 (2023). -
47 Outstanding improvement in removing the delocalization error by global natural orbital functional
J. F. H. Lew-Yee, M. Piris, and J. M. del Campo
J. Chem. Phys. 158, 084110 (2023). -
48 Electron Correlation in the Iron(II) Porphyrin by Natural Orbital Functional Approximations
J. F. H. Lew-Yee, J. M. del Campo, and M. Piris
J. Chem. Theory Comput. 19, 211 (2023). -
49 Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties?
C. Naim, P. Besalu-Sala, R. Zalesny, J. M. Luis, F. Castet, and E. Matito
J. Chem. Theory Comput. 19, 1753 (2023). -
50 Extracting Quantitative Information at Quantum Mechanical Level from Noncovalent Interaction Index Analyses
E. K. Wieduwil, R. A. Boto, G. Macetti, R. Laplaza, J. Contreras-Garcia, and A. Genoni
J. Chem. Theory Comput. 19, 1063 (2023). -
51 Electronic Descriptors for Supervised Spectroscopic Predictions
C. M. de Armas-Morejon, L. A. Montero-Cabrera, A. Rubio, and J. Jornet-Somoza
J. Chem. Theory Comput. 19, 1818 (2023). -
52 Dark matter from primordial black holes would hold charge
I. J. Araya, N. D. Padilla, M. E. Rubio, J. Sureda, J. Magana, and L. Osorio
J. Cosmol. Astropart. Phys. , JCAP02 (2023). -
53 Non-Hermitian Hamiltonian deformations in quantum mechanics
A. S. Matsoukas-Roubeas, F. Roccati, J. Cornelius, Z. Xu, A. Chenu, and A. del Campo
J. High Energy Phys. , 60 (2023). -
54 Sudden excitations of harmonic normal modes
I. Aldazabal, and I. Nagy
J. Math. Chem. 61, 288 (2023). -
55 Anisotropic Rashba coupling to polar modes in KTaO3
G. Venditti, M. E. Temperini, P. Barone, J. Lorenzana, and M. N. Gastiasoro
J. Phys-Mater. 6, 014007 (2023). -
56 Room-Temperature C-C sigma-Bond Activation of Biphenylene Derivatives on Cu(111)
J. P. Calupitan, T. Wang, A. P. Paz, B. Alvarez, A. Berdonces-Layunta, P. Angulo-Portugal, R. Castrillo-Bodero, F. Schiller, D. Pena, M. Corso, D. Perez, and D. G. de Oteyza
J. Phys. Chem. Lett. 14, 947 (2023). -
57 Steering On-Surface Reactions by Kinetic and Thermodynamic Strategies
T. Wang, Q. Fan, and J. Zhu
J. Phys. Chem. Lett. 14, 2251 (2023). -
58 Deciphering the role of (anti)aromaticity in cofacial excimers of linear acenes
A. Krishnan, A. Diaz-Andres, K. P. Sudhakaran, A. T. John, M. Hariharan, and D. Casanova
J. Phys. Org. Chem. 36, e4438 (2023). -
59 In the quest of Huckel-Huckel and Huckel-Baird double aromatic tropylium (tri)cation and anion derivatives
S. Escayola, N. P. Vedin, A. Poater, H. Ottosson, and M. Sola
J. Phys. Org. Chem. 36, 1, SI (2023). -
60 Microscopic versus Macroscopic Glass Transitions and Relevant Length Scales in Mixtures of Industrial Interest
A. Arbe, J. Colmenero, N. Shafqat, A. Alegria, N. Malicki, S. Dronet, F. Natali, L. Mangin-Thro, and L. Porcar
Macromolecules 56, 5 (2023).