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 49-60 of 3,656
A hydration-scaffold framework for phase-sensitive coupling and collective organization in biomolecular water.
Singh P, Bandyopadhyay A
A la carte bioprospecting of substrate-selective laccases via high-throughput computational enzyme-substrate interaction profiling.
Xiang R, Campos HB, Bassegoda A, Østergaard LH, Schnorr KM, Guallar V
A Large-Scale Nanocrystal Database with Aligned Synthesis and Properties, Enabling Generative Inverse Design.
Gu K, Liang Y, Peng S, Guo A, Fu Y, Zhong H
A ligand in the metal salt sea: extreme metal-to-ligand ratios and the thermodynamic driving force of the halogen bond.
Yardan A
A local polarization strategy for efficient sacrificial-free hydrogen peroxide photoproduction.
Wang D, Tao JG, Zhang H, Zhang P, Chen F
A materialized intelligent sensing platform driven by ultra-sensitive fluorescent probe: Smart phone-assisted portable detection of SO(2) and its derivatives.
Wang C, Chen Q, Tian M, Wu L, Liang T, Wu C, Li Y, Zhong K, Tang L
A methionine-lined active site governs carbocation stabilization and product specificity in a bacterial terpene synthase.
Ringel M, Helmer CPO, Zev S, Driller R, Buhr E, Reinbold M, Schwartz R, Foley G, Boden M, Garbe D, Schenk G, Major DT, Loll B, Brück T
A Mini-Review on the Structure-Property Relationships of Octahedral Mn(2+) Chlorido Organic-Inorganic Hybrid Complexes: A Platform for Tunable Luminescence and Multifunctionality.
Bothma SN, Bragazzi NL, Forbes RP, Ntwaeaborwa OM
A minor substituent modification leads to a large change in photophysics: 9,20-dialkyl-substituted porphycenes.
Listkowski A, Luboradzki R, Gil M, Gorski A, Waluk J
A Mixed-Precision Approach to a Preconditioned Eigensolver for Efficient Density Functional Calculations on AI-Focused GPUs.
Woo J, Choi S
A molecular imprinted fluorescence sensor based on EDTA-Cu quantum dots for methamphetamine recognition.
Zhu Y, Wang L, Zhao J, Zhang J, Yin Q
A near-ambient-pressure A7 phase achieved by high-pressure quenching of few-layered violet phosphorus and black phosphorus.
Li C, Cheng W, Zhang X, Yang Q, Jia Y, Han J, Li X, Wu H, Wang S, Liu Y, Zhu J