Results 131 to 140 of about 115,920 (303)
Photonic variational quantum eigensolver for NISQ-compatible quantum technology. [PDF]
Hu KM, Namkung M, Lim HT.
europepmc +1 more source
Low‐Symmetry Weyl Semimetals: A Path to Ideal Topological States
This study presents a theoretical framework for realizing ideal Weyl semimetals, where Weyl nodes are well‐isolated at the Fermi level. The approach is exemplified in the low‐symmetry material Cu2SnSe3, which exhibits tunable topological phases, current‐induced orbital magnetization, and a strong circular photogalvanic effect, making it a promising ...
Darius‐Alexandru Deaconu +3 more
wiley +1 more source
Thermoelectric properties of M2BS2 (M = Ti, Zr, Hf) monolayers: An Ab initio study. [PDF]
Wang S, Chen L, Song J.
europepmc +1 more source
THE THEORETICAL INVESTIGATION OF ALKALI COOKING ON THE STANDPOINT OF PHYSICAL CHEMISTRY (1st REPORT)
Tadao Hinohara, Rokuro Maematsu
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This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger +10 more
wiley +1 more source
XIth Mexican Reunion on Theoretical Physical Chemistry
Joaquín Barroso-Flores
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Exploring Dacarbazine Complexation with a Cellobiose-Based Carrier: A Multimethod Theoretical, NMR, and Thermochemical Study. [PDF]
Hoelm M, Kinart Z, Porwański S.
europepmc +1 more source
The SERS spectra of reporter molecules adsorbed on chiral gold nanorods depends on the handedness of circularly polarized light (CPL‐SERS). The bisignate plasmonic CD spectra of chiral nanorods provides wavelength‐dependent CPL‐SERS. Selective discrimination of chiral nanorod handedness and different Raman reporters allow highly sensitive codification ...
Andrés Serrano‐Freijeiro +9 more
wiley +1 more source
Generative AI for computational chemistry: A roadmap to predicting emergent phenomena. [PDF]
Tiwary P +5 more
europepmc +1 more source

