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7284 results: 7224 articles and 60 books or book chapters
Last updated: Jul 29, 2026-
2081
Total Electron Detachment and Induced Cationic Fragmentation Cross
Sections for Superoxide Anion (O-2(-)) Collisions with Benzene (C6H6)
Molecules
C. Guerra, S. Kumar, F. Aguilar-Galindo, S. Diaz-Tendero, A. I. Lozano, M. Mendes, J. C. Oller, P. Limao-Vieira, and G. Garcia
Int. J. Mol. Sci. 23, 1266 (2022). -
2082
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). -
2083
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). -
2084
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). -
2085
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). -
2086
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). -
2087
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). -
2088
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). -
2089
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). -
2090
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). -
2091
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). -
2092
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). -
2093
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). -
2094
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). -
2095
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). -
2096
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). -
2097
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). -
2098
Superconducting Li10Se electride under pressure
X. Zhang, Y. Zhao, A. Bergara, and G. Yang
J. Chem. Phys. 156, 194112 (2022). -
2099
Simple evaluation of dynamic disorder effects on exciton transport
A. Carreras, and D. Casanova
J. Chem. Phys. 156, 044112 (2022). -
2100
Adiabatic electronic flux in molecules and in condensed matter
R. Resta
J. Chem. Phys. 156, 204118 (2022).