Quantum Chemistry

8,661 papers

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 1021-1032 of 8,661

First-Principles Electronegativity Scale from the Atomic Mean Inner Potential

Jin-Cheng Zheng

2026 arXiv arXiv preprint

First-principles predictions of band alignment in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures

Nathaniel M. Vegh, Pericles Philippopoulos, Raphaël J. Prentki, Wanting Zhang, Yu Zhu, Félix Beaudoin, Hong Guo

2026 arXiv arXiv preprint

First-principles predictions of the diversity in the atomic structures and electronic properties of the reconstructed Si(111)-7 × 7 surface.

Song Y, Li S, Lin P, Li J, Ouyang T, Tang C, He C

2026 PubMed Physical chemistry chemical physics : PCCP

First-principles study of spin-selective transport properties and quantum logic gate operation in transition-metal-capped nanowires.

Adak D, Jana D, Chattopadhyaya M, Sen S

2026 PubMed Physical chemistry chemical physics : PCCP

Five-Scale Empirical Verification of the Ω-Attractor: From Silicon Parameter Space to Interstellar Trajectory

Vinness Aisingioro Ollervides

2026 OpenAlex Zenodo (CERN European Organization for Nuclear Research)

Flexible Capacitive Synapse with Ultralow Energy Consumption Enabled by a Freestanding BaTiO(3) Membrane.

Hou Z, Shen C, Chen J, Chen S, Zeng M, Hao L, Zhang H

2026 PubMed The journal of physical chemistry letters

Flexible disulfide-bridged hyperbranched poly(amido amine)s based nonconjugated carbonized polymer dots for iron (III) sensing and its application in meat by-product.

Tian X, Li L, Yan C, Wang Z, Zheng X, Liu BT, Chen L, Li S, Shang M, Li C, Zhang D

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

Flexible Framework for Surface Hopping: From Hybrid Schemes for Machine Learning to Benchmarkable Nonadiabatic Dynamics.

Martinka J, Martyka M, Medhi B, Pittner J, Dral PO

2026 PubMed Journal of chemical theory and computation

Floquet States of Chemoselective Alternating Current Electrosynthesis.

Poh YR, Sreekumar S, Luo L, Yuen-Zhou J

2026 PubMed Journal of the American Chemical Society

Flow solitons of supermolecular complex DEAE-dextran-MMA copolymer/small noncoding RNAs for epigenetic change from cancer to normal cells in TME.

Klimenko OV, Ji RC, Onishi M, Mizuno M, Kubota N, Eshita Y, Onishi Y

2026 PubMed The Analyst

Fluorescence spectroelectrochemistry for the study of electrochemiluminescence of the CdTe quantum dots/tripropylamine coreactant system.

Nakayama M, Nakajima M, Hamasaki A, Takahashi F, Tatsumi H, Jin J

2026 PubMed Analytical sciences : the international journal of the Japan Society for Analytical Chemistry

Fluorescence-based determination of cyclic adenosine monophosphate in nasal secretions of healthy and post COVID-19 patients using Tinopal CBS-X.

Imam MS, Hashim NFM, Alqarni SMA, Aljauid SMA, AlGhazal KMR, Alruways GM, AlOtaibi BS, Alhafi RAR, Al Dawood HFM, Elaidy SM

2026 PubMed Analytical methods : advancing methods and applications