Quantum Thermodynamics

63 papers for year 2026 from PubMed

Showing 1-12 of 63

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

2026 PubMed Nanoscale

A Single-Molecule Quantum Heat Engine.

Volosheniuk S, Conte R, Pyurbeeva E, Baum T, Vilas-Varela M, Fernández S, Peña D, van der Zant HSJ, Gehring P

2026 PubMed Nano letters

Accurate Hydration Free Energy Calculations for Diverse Organic Molecules With a Machine Learning Force Field.

Xie X, Weber JL, Svensson M, Johnston RC, Harder ED, Jacobson LD

2026 PubMed Journal of chemical theory and computation

Additive-driven microwave crystallization of tyramine polymorphs and salts: a quantum crystallography perspective. Corrigendum.

Grabowski S, Nowakowska K, Butkiewicz H, Hoser A, Wesełucha-Birczyńska A, Seidler T, Moskal P, Gryl M

2026 PubMed IUCrJ

Assessing the impact of carbamate insecticide aminocarb on human plasma protein through biophysical and computational methods.

Singh S, Gopi P, Sharma P, Rani MSS, Singh P, Yadav A, Gupta N, Pandya P, Raza T, Ali MS

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

Box-Behnken optimized green analytical method for mirtazapine detection using N,P CQDs with quantum mechanical mechanistic elucidation and sustainability assessment.

Alqahtani AS, Abduljabbar MH, Alnemari RM, Althobaiti MM, Al-Mutairi AA, Serag A, Almalki AH

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

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

Capturing and Editing Te-Deficient Phases in Two-Dimensional Molybdenum Telluride Compound.

Xu X, Qu S, Guzman R, Xu M, Han B, Huang M, Ding Y, Zhang B, Wang S, Fu W, Song Y, Yang S, Yang H, Zhang Y, Ma Y, Shao R, Gao P, Zhou W, Ye Y, Wang Y

2026 PubMed Journal of the American Chemical Society

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

CHAOS - A Large-scale Database for σ-Profiles and Other Molecular Descriptors.

Gond D, Arweiler J, Specht T, Hasse H, Jirasek F

2026 PubMed Journal of chemical information and modeling

Computational assessment of the antioxidant activity of maculosin: a theoretical approach.

Trang HTT, Thuy PT, Ha NX

2026 PubMed Journal of molecular modeling

Crystalline nitrogen chain radical anions.

Lister-Roberts R, Galano D, van IJzendoorn B, Whitehead GFS, Brookfield A, Bowen AM, Kaltsoyannis N, Mehta M

2026 PubMed Nature chemistry