Quantum Chemistry

3,656 papers from PubMed

Quantum Chemistry Research Context

This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.

Showing 961-972 of 3,656

Heteroatom-Induced Metabolic Differences: Computational Study on the Mechanism of CYP1A1-Mediated Metabolic Activation of Dibenz[a,j]acridine.

Feng S, Zheng Q

2026 PubMed The journal of physical chemistry. B

Heterocyclic-N-Coordinated Ag(2)(δ-) Monolayer Self-Assembled on Ag(100).

Fu X, Huang L, Wu L, Fu Y, Chang X, Pei X, Zhang C, Liu C, Liu F, Cheng Z, Ma J, Lin X, Ji W, Feng X, Gao HJ

2026 PubMed Journal of the American Chemical Society

Heterogeneity of Free O-H Groups at the Air/Water Interface.

Rashmi R, Chiang KY, Nagata Y, Bonn M, Paesani F

2026 PubMed The journal of physical chemistry letters

Heterostructure-Controlled Charge Transfer Dynamics in CdSe/CdS Dot-in-Rods and Tetrapods.

Harvey SM, Dou FY, Skytte E, Nguyen HA, Cossairt BM

2026 PubMed ACS nano

Hexagonal boron nitride with vacancy engineering as an efficient polysulfide anchor and electrocatalyst for Na-S batteries.

Kaur M, Dhilip Kumar TJ

2026 PubMed Nanoscale

Hexavalent Iridium Sites Drive Highly Efficient and Selective Chlorine Evolution via a Two-Step Chemical-Electrochemical Cycle Reaction Mechanism.

Chen S, Ouyang B, Liu Q, Wang F, Zhang A, Yin S, Cao R, Yan J, Chen G, Zheng X, Kan E, Jiang W, Wang D, Ye J, Liu G

2026 PubMed Angewandte Chemie (International ed. in English)

HI-Mediated In Situ Nitro Reduction and Film Optimization Enable High-Performance Water-Stable Quasi-1D Perovskite Photodetectors.

Nishana K, Sławek A, Suresh A, Kumar GSS, Kavitha NS, Szaciłowski K, Vijayakumar C

2026 PubMed Small methods

Hierarchical Se-Ti(3)C(2)@CNTs Catalytic Network for High-Stability Li-S Batteries: Synergistic Polysulfide Anchoring and Conversion.

Tao X, Qi Y, Gu Q, Cao Y, Zhai Z, Zhang C, Han W, Huang N, Li H, Lu M, Wang L, Zhang B

2026 PubMed Nano letters

Hierarchically Targeted Cu-Doped Carbon Dot/Kynurenic Acid@RM Platform for Restoring Mitochondrial Metabolism and Modulating Inflammation in Acute Pancreatitis.

Zhao X, Wang T, Zhou Q, Wei Z, Zhang Y, Wu X, Zhu Y, Yu X, Jiang H, Xu X, Zhang K, Xin G, Huang W

2026 PubMed ACS nano

Hierarchy and Synergy of Anion-π, Hydrogen Bonding and π-π Interactions in Multicomponent Ionic Hybrid Architectures.

Glosz D, Żabińska A, Grzybowski J, Srebro-Hooper M, Hooper JGM, Musielak B, Muzioł TM, Podgajny R

2026 PubMed Chemistry (Weinheim an der Bergstrasse, Germany)

High Electron Mobility in Ge Films Grown on Si (001) by an 8-Inch Molecular Beam Epitaxy System.

Ye G, Zhang J, Chen Y, Ming M, Liao L, Geng X, Zhang X, Zhang J

2026 PubMed Nanomaterials (Basel, Switzerland)

High resolution overtone spectroscopy of HNC(+) and HCN().

Jiménez-Redondo M, Schleif C, Palotás J, Sarka J, Bunn H, Dohnal P, Caselli P, Jusko P

2026 PubMed Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy