Quantum Simulation

583 papers from PubMed

Showing 49-60 of 583

Beyond the two-conformer model: boat conformers provide stereoselectivity in S(N)1-type glycosylations of manno-type donors.

Remmerswaal WA, Hoogers D, Schoenmakers J, Bickelhaupt FM, Hansen T, Codée JDC

2026 PubMed Chemical science

Bias-Switchable Broadband-Narrowband Organic Photodetectors Enabled by Vertical Phase Separation in Thick PM6: Y6 Bulk Heterojunctions.

Bai G, Liu P, Guo M, Yu Y, Jiang J, Hu Y, Teng F

2026 PubMed ACS applied materials & interfaces

Biochemical effects and theoretical study of a metformin in the carp (Cyprinus carpio) fry.

Ispir Ü, Tüzün B, Kirici M, Poustforoosh A, Yonar ME, Yonar SM, Şeker E

2026 PubMed Aquatic toxicology (Amsterdam, Netherlands)

Boosting H(2)O(2) synthesis for fenton oxidation process via the synergy of Z-scheme porphyrin-Zn/Cu MOF@ZnSiO(3) piezo-photocatalytic system.

Xu M, Wu J, Liu H, Yang Y, Zhou W, Wang J, Yang Y, Li Y

2026 PubMed Journal of colloid and interface science

Bose-Einstein Phonon Statistics Explain Drastic Thermal Conductivity Reduction in SWCNT Bundles.

Tao F, Zhang X, Tang D, Maruyama S, Feng Y

2026 PubMed Nano letters

Breaking Inversion Symmetry in 2D Semiconductors by Built-In Electric Fields across the van der Waals Metal-Semiconductor Interface.

Xia C, Yang X, Cui Q, Huang C, Wang R, Li Y, Wang X, Gu B, Dong S, Xu C

2026 PubMed ACS nano

C-C Bond Formation during Electrochemical CO(2) Reduction on Pristine Cu(100) Unlikely to Involve Adsorbed CO at Any Potential.

Martirez JMP, Carter EA

2026 PubMed Journal of the American Chemical Society

Catalytic & Enantioselective Ring Opening of Azabicyclo[1.1.0]Butyl Carbinols via N-Allylation of Strained Tertiary Amines.

Ghorai D, Khatun S, DeSnoo W, Paul S, Kong WY, Sahoo R, Ghorai D, Tantillo DJ, Panda S

2026 PubMed Angewandte Chemie (International ed. in English)

Catalytic performance of La@Mg(12)O(12) as a single atom catalyst toward nitrogen reduction reaction for ammonia generation.

Kosar N, Mahmood T, Al-Saadi AA

2026 PubMed Journal of molecular graphics & modelling

Characterising the failure mechanisms of error-corrected quantum logic gates.

Harper R, Lainé C, Hockings ET, McLauchlan C, Nixon GM, Brown BJ, Bartlett SD

2026 PubMed Nature communications

Characterizing many-body dynamics with projected ensembles on a superconducting quantum processor.

Yan Z, Ge ZY, Li R, Zhang YR, Nori F, Nakamura Y

2026 PubMed Science advances

CHARMM Force Field for Curcuma longa Phytochemicals: Towards Reliable Modeling of Curcuminoids and Turmerones in Biological Systems.

Archana, Charde V, Kumar V, Ranade A, Meena AK, Srikanth N, Acharya R, Mallajosyula SS

2026 PubMed Journal of computational chemistry