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 265-276 of 8,661

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

Assessing the performance of quantum-mechanical descriptors in physicochemical and biological property prediction.

Hinostroza Caldas A, Kokorin A, Tkatchenko A, Medrano Sandonas L

2026 PubMed Digital discovery

Assessing the Practical Feasibility of the Clader-Jacobs-Sprouse Quantum Algorithm for Calculating Radar Cross Sections

Edward Parker, Nicholas A. O'Donoughue, Alvin Moon, Nicolas M. Robles

2026 arXiv arXiv preprint

Assessment of Energy Effects Determining cis-trans Proline Isomerization in Dipeptides.

Díaz N, López R, Martín-Pendás Á, Suárez D

2026 PubMed ACS physical chemistry Au

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 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 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)