Quantum Chemistry

9,538 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 361-372 of 9,538

Assessment of halloysite clay nanotubes as adsorbents for removing tetracycline hydrochloride from contaminated aqueous systems via experimental study and SQM calculations.

Silva MRL, Pereira AVS, Câmara ABF, Moura HOMA, Silva SRB, de Souza MAF, Bertolino LC, Ballesteros-Plata D, Rodríguez-Castellón E, de Carvalho LS

2026 PubMed Physical chemistry chemical physics : PCCP

Assessment of quantum chemical predictors for anti-colorectal cancer agents using QSAR modeling.

Alharbi Y, Yadav K, Alkwai LM, Dutta D, Abumalek A

2026 PubMed Journal of computer-aided molecular design

Asymmetric charge-polarization tailoring active hydrogen transfer for selective photoreduction CO(2) to CH(4).

Yin C, Sun Z, Tang K, Zou W, Wan H, Liu ZQ, Dong L

2026 PubMed Nature communications

Asymmetric Lamellar Templating of the Perovskite/C(60) Interface for Scalable Inverted Perovskite Photovoltaics.

Ki T, Ahn JG, Kim S, Kim S, Lee MH, Hwang IW, Jeong J, Shim S, Ahn J, Park JH, Lee S, Lee JY, Kim Y, Kim JH, Kang H, Hong S, Lee K

2026 PubMed Advanced materials (Deerfield Beach, Fla.)

Asymmetric organic NIR chromophores for bioimaging and phototherapy.

Birajdar SS, Wong KT

2026 PubMed Nanoscale

Asymmetric quantum Rabi model, trap-dipole resonance, and quantum gates with optically trapped ultracold polar molecules

Yan Lu, Xiao-Feng Shi

2026 arXiv arXiv preprint

Asymmetrical Two-Headed Linear Cationic Surfactants with Halogenoferrate Magnetic and Bromide Counterions: Synthesis, Thermal Behavior, Magnetic Performance, and Surface Properties.

Lamch Ł, Korabik M, Szarpak D, Szklarz P, Borkowski M, Warszyński P, Wilk KA

2026 PubMed Langmuir : the ACS journal of surfaces and colloids

Atmospheric Oxidation of C(12)-C(14) n-Alkylcyclohexanes Initiated by Cl Atoms and OH Radicals: Mechanistic Insights, Kinetics, and the Inhibiting Effect of Water.

Zhao H, Liu F, Tang Y, Pan Y

2026 PubMed The journal of physical chemistry. A

Atomic heat transfer in nanoscale contacts mediated by van der Waals interactions

Seunghoe Koo, Jaehee Park, Junki Jung, Hyo Jae Yoon, Seungha Shin, Minsub Han, Kyeongtae Kim

2026 DOAJ Communications Materials

Atomic layer deposition of ZnO on NH(2)-MIL-125(Ti) for enhanced selective CO(2) to CH(4) conversion via S-scheme heterojunction engineering.

Zhao J, Li Z, Zuo Y, Huang S, Tong Z, Ma Y, Xiao L, Jia S, Chen X, Wang M

2026 PubMed Journal of colloid and interface science

Atomic-Level Synergy of Dual Single-Atom Catalysts for Photocatalytic Hydrogen Evolution Reaction.

Islam H, Mishra G, Biswas B, Jaksani B, Bhatt H, Das S, Ghosh HN, Mahatha SK, Ghosh K, Sarma BB, Ghosh S, Pal U

2026 PubMed Small (Weinheim an der Bergstrasse, Germany)

Atomic-Scale Mapping of Spin Redistribution in Chemically Engineered Metal–Organic Complexes

Di’an Wu, Xiaobin Geng, Xianglong Wu, Dalong Xuan, Sihao Li, Behnam Esmaeilzadeh, Yuanyuan Hu, Christoph Wolf, Xue Zhang

2026 Crossref The Journal of Physical Chemistry Letters