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 1849-1860 of 3,656

Shortwave-Infrared (SWIR) Tetrabenzannulated Silicon-Rhodamine.

Wang D, Wang B, Geng W, Zhang Y, Wang X, Shen Z, Qiu Y, Hu X, Yao Y, Jiang N, Ge G, Chen J, Luo X, Qian X, Wei R, Yang Y

2026 PubMed Journal of the American Chemical Society

Side Chain Length in Lysine and Its Homologues Modulates Noncovalent Interactions in Histidine-Rich Peptides.

Salas RL, Sabido PMG, Nellas RB

2026 PubMed The journal of physical chemistry. B

Signal Amplification to Improve Electrochemical Biosensing for Infectious Diseases.

Gupta A, Srivastava S, Golmei P, Yadav L, Kumar S

2026 PubMed Biotechnology and applied biochemistry

Significantly improved optoelectronic properties of WWC-103 engineered for efficient perovskite solar cells: A DFT approach.

Yaqoob U, Rafiq S, Sabir MZ, Ayub AR, Salba, Anwer M, Parveen A

2026 PubMed Journal of molecular graphics & modelling

Silk fibroin loaded carbon point-chlorogenic acid complex hydrogel for photothermal/antioxidant therapy of diabetic wound.

Zhao Y, Shi X, Hou S, Zhang W, Yang K, Gui L, Zhao Z, Ge F

2026 PubMed Colloids and surfaces. B, Biointerfaces

Silver quantum dots in plasmonic photocatalysis: linking quantum confinement to structure-function relationships.

Vasudevan A, Mohammad SI, Yakhshieva Z, Sapaev I, Shukla MM, Verma M, Tripathi P, Alghazali T, Chavoushi TH

2026 PubMed RSC advances

Simplified Time-Dependent DFT for all-Atom Simulations of Second Harmonic Generation Responses: A Case Study on Photoswitchable Azobenzene Monolayers.

Hugget M, Dellai A, Aurel P, Maraldi MG, de Wergifosse M, Castet F

2026 PubMed Journal of computational chemistry

Simulating closed- and open-quantum photoinduced electron dynamics for time-resolved NEXAFS.

Pistillo S, Dall'Osto G, Biancorosso L, Toffoli D, Fronzoni G, Coccia E

2026 PubMed The Journal of chemical physics

Simulating enzyme catalysis with electrostatically embedded machine learning potentials.

Gradisteanu V, Chan EW, Hedges L, Malagarriga M, David R, de la Puente M, Laage D, Tuñón I, van der Kamp MW, Zinovjev K

2026 PubMed Chemical science

Simulation-guided design of peptide-metal coordination interfaces for next-generation metallo-immunotherapy.

Jang Y, Bellier N, Canlas KKV, Lee JY, Kim Y, Park H, Moon JJ

2026 PubMed Nano convergence

Simultaneous Atomic Resolution Imaging and Electronic Characterization of Wet-Chemically Prepared Nanocrystals.

Vlasblom A, Wesselingh V, Vliem J, Vanmaekelbergh D, Swart I

2026 PubMed Nano letters

Simultaneous detection of methane and carbon dioxide in human exhalation based on photoacoustic spectroscopy.

Sun C, Wang C, Shen X, Feng C, Xie X, Shi L, Cui R, Dai J, Wang Y, Giglio M, Sampaolo A, Patimisco P, Xiao L, Spagnolo V, Yin X, Dong L, Wu H

2026 PubMed Photoacoustics