Results 161 to 170 of about 38,763 (200)

Aromaticity‐Induced Spin State Switching and High‐Spin States in Non‐Alternant Polyradicals

Journal of Computational Chemistry, Volume 47, Issue 10, 15 April 2026.
The peculiar topology of some non‐alternant systems allows such a degree of freedom in favored spin‐alignment between unpaired electrons that the polyradical can be in low‐, intermediate‐, and high‐spin ground state. Thus, the modulation of resonance energy upon distortions of pro‐aromatic units via external stimuli may result in switching the lowest ...
Sergi Betkhoshvili, Ibério de P. R. Moreira, Jordi Poater, Josep Maria Bofill   +3 more
wiley   +1 more source

Research on the construction and dynamic adaptation algorithm of cognitive graph multimodal knowledge network for enterprise management communication. [PDF]

Sci Rep
Ma M, Wang Y, Sun W.
europepmc   +1 more source

Computational and Spectroscopic Insights Into the Rice Bran Derived Glu‐Gln‐Arg‐Pro‐Arg Pentapeptide as an Anticancer Agent: A DFT, Molecular Docking, and Molecular Dynamics Study

International Journal of Quantum Chemistry, Volume 126, Issue 8, April 15, 2026.
Rice bran–derived neutral EQRPR (L‐Glu‐L‐Gln‐L‐Arg‐L‐Pro‐L‐Arg) pentapeptide was structurally and biologically characterized using DFT calculations, vibrational spectroscopy, molecular docking, and molecular dynamics simulations. The DFT/wb97xd/6–31++G(d,p) level of theory showed the best agreement with the experimental spectra.
Gozde Yilmaz, Sefa Celik, Aysen E. Ozel, Sevim Akyuz   +3 more
wiley   +1 more source

Advances of Quantum Key Distribution and Network Nonlocality. [PDF]

Entropy (Basel)
Geng M.
europepmc   +1 more source

Unveiling the Potential of Reduced Graphene Oxide in Self‐Powered Photodetectors

ChemPhysChem, Volume 27, Issue 7, 14 April 2026.
Self‐powered photodetectors have emerged as advanced devices, gathering significant attention in the field of optoelectronics, particularly for their potential in power‐scarce environments. These devices can detect light and generate an electrical current with minimal or no external power supply.
Bitap Raj Thakuria, Indranee Hazarika, Bedanta Gogoi, Amreen Ara Hussain   +3 more
wiley   +1 more source

"In Mathematical Language": On Mathematical Foundations of Quantum Foundations. [PDF]

Entropy (Basel)
Plotnitsky A.
europepmc   +1 more source

Interplay of Electronic Orders in Topological Quantum Materials. [PDF]

ACS Mater Au
Gruber CS, Abdel-Hafiez M.
europepmc   +1 more source

The Group-Algebraic Formalism of Quantum Probability and Its Applications in Quantum Statistical Mechanics. [PDF]

Entropy (Basel)
Gu Y, Wang J.
europepmc   +1 more source

Topological Bardeen-Cooper-Schrieffer theory of superconducting quantum rings. [PDF]

Eur Phys J B
Landrò E, Fomin VM, Zaccone A.
europepmc   +1 more source

Biological detail and graph structure in network neuroscience. [PDF]

Front Netw Physiol
Papo D, Buldú JM.
europepmc   +1 more source