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6780 results: 6742 articles and 38 books or book chapters
Last updated: 30/09/2025-
1581 Algebraic Lq-norms and complexity-like properties of Jacobi polynomials:Degree and parameter asymptotics
N. Sobrino, and J. S. Dehesa
Int. J. Quantum Chem. 122, e26858 (2022). -
1582 Dehydroxylation processing and lasing properties of a Nd alumino-phosphate glass
M. Munoz-Quinonero, J. Azkargorta, I. Iparraguirre, R. J. Jimenez-Rioboo, G. Tricot, C. Shao, F. Munoz, J. Fernandez, and R. Balda
J. Alloy. Compd. 896, 163040 (2022). -
1583 Zinc glycolate Zn(OCH2CH2O): Synthesis and structure, spectral and optical properties, electronic structure and chemical bonding
V. N. Krasil'nikov, A. P. Tyutyunnik, V. P. Zhukov, I. V. Baklanova, O. I. Gyrdasova, and E. V. Chulkov
J. Alloy. Compd. 924, 166320 (2022). -
1584 A molecular dynamics study of N-A-S-H gel with various Si/Al ratios
Y. Chen, J. S. Dolado, Z. Li, S. Yin, Q. Yu, A. Kostiuchenko, and G. Ye
J. Am. Ceram. Soc. 105, 6462 (2022). -
1585 Preparation, Supramolecular Organization, and On-Surface Reactivity of Enantiopure Subphthalocyanines: From Bulk to 2D-Polymerization
J. Labella, G. Lavarda, L. Hernandez-Lopez, F. Aguilar-Galindo, S. Diaz-Tendero, J. Lobo-Checa, and T. Torres
J. Am. Chem. Soc. 144, 16579 (2022). -
1586 Steric Hindrance of NH3 Diffusion on Pt(111) by Co-Adsorbed O-Atoms
D. Borodin, O. Galparsoro, I. Rahinov, J. Fingerhut, M. Schwarzer, S. Horandl, D. J. Auerbach, A. Kandratsenka, D. Schwarzer, T. N. Kitsopoulos, and A. M. Wodtke
J. Am. Chem. Soc. 144, 21791 (2022). -
1587 Structure Matters: Asymmetric CO Oxidation at Rh Steps with Different Atomic Packing
F. Garcia-Martinez, L. Raemisch, K. Ali, I. Waluyo, R. C. Bodero, S. Pfaff, I. J. Villar-Garcia, A. L. Walter, A. Hunt, V. Perez-Dieste, J. Zetterberg, E. Lundgren, F. Schiller, and J. E. Ortega
J. Am. Chem. Soc. 144, 15363 (2022). -
1588 Generation and Characterization of the Charge-Transferred Diradical Complex CaCO2 with an Open-Shell Singlet Ground State
Y. Zhou, S. Pan, X. Dong, L. Wang, M. Zhou, and G. Frenking
J. Am. Chem. Soc. 144, 8355 (2022). -
1589 Chemisorption-Induced Formation of Biphenylene Dimer on Ag(111)
Z. Zeng, D. Guo, T. Wang, Q. Chen, A. Matej, J. Huang, D. Han, Q. Xu, A. Zhao, P. Jelinek, D. G. de Oteyza, J. -S. Mcewen, and J. Zhu
J. Am. Chem. Soc. 144, 723 (2022). -
1590 Aza-Triangulene: On-Surface Synthesis and Electronic and Magnetic Properties
T. Wang, A. Berdonces-Layunta, N. Friedrich, M. Vilas-Varela, J. Patrick Calupitan, J. Ignacio Pascual, D. Pena, D. Casanova, M. Corso, and D. G. de Oteyza
J. Am. Chem. Soc. 144, 4522 (2022). -
1591 Solid-State Pathway Control via Reaction-Directing Heteroatoms: Ordered Pyridazine Nanothreads through Selective Cycloaddition
S. G. Dunning, L. Zhu, B. Chen, S. Chariton, V. B. Prakapenka, M. Somayazulu, and T. A. Strobel
J. Am. Chem. Soc. 144, 2073 (2022). -
1592 Theoretical studies of furan and thiophene nanothreads: structures, cycloaddition barriers, and activation volumes
B. Chen, V. H. Crespi, and R. Hoffmann
J. Am. Chem. Soc. 144, 9044 (2022). -
1593 Phenanthrene-Extended Phenazine Dication: An Electrochromic Conformational Switch Presenting Dual Reactivity
J. Dosso, B. Bartolomei, N. Demitri, F. P. Cossio, and M. Prato
J. Am. Chem. Soc. 144, 7295 (2022). -
1594 Active site dynamics and catalytic mechanism in arabinan hydrolysis catalyzed by GH43 endo-arabinanase from QM/MM molecular dynamics simulation and potential energy surface
W. Meelua, T. Wanjai, N. Thinkumrob, J. Olah, I. Mujika, J. R. Ketudat-Cairns, S. Hannongbua, and J. Jitonnom
J. Biomol. Struct. Dyn. 40, 7439 (2022). -
1595 AMBER Drug Discovery Boost Tools: Automated Workflow for Production Free-Energy Simulation Setup and Analysis (ProFESSA)
A. Ganguly, H. -C. Tsai, M. Fernandez-Pendas, T. -S. Lee, T. J. Giese, and D. M. York
J. Chem Inf. Model. 62, 6069 (2022). -
1596 The Wigner localization of interacting electrons in a one-dimensionalharmonic potential
X. Telleria-Allika, M. E. Azor, G. Francois, G. L. Bendazzoli, J. M. Matxain, X. Lopez, S. Evangelisti, and J. A. Berger
J. Chem. Phys. 157, 174107 (2022). -
1597 Superconducting Li10Se electride under pressure
X. Zhang, Y. Zhao, A. Bergara, and G. Yang
J. Chem. Phys. 156, 194112 (2022). -
1598 Simple evaluation of dynamic disorder effects on exciton transport
A. Carreras, and D. Casanova
J. Chem. Phys. 156, 044112 (2022). -
1599 Adiabatic electronic flux in molecules and in condensed matter
R. Resta
J. Chem. Phys. 156, 204118 (2022). -
1600 Studying and exploring potential energy surfaces of compressedmolecules: A fresh theory from the extreme pressure polarizablecontinuum model
R. Cammi, and B. Chen
J. Chem. Phys. 157, 114101 (2022).