Quantum Chemistry

8,744 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 3457-3468 of 8,744

Thermodynamics of Intrinsic Reaction Coordinate (IRC) Chemical Reaction Pathways

Frank Weinhold

2025 DOAJ Entropy

Through-space interaction enables simultaneous enhancements of k (r) and k (RISC) in highly efficient spiro-acridine based thermally activated delayed fluorescence emitter with acridone acceptor.

Mei Y, Liu D, Li J, Xu M, Wang J, Jin J, Xie L, Wan H

2025 PubMed Smart molecules : open access

Topological resolution of conical intersection seams and the coupled cluster bifurcation via mixed Hodge modules

Prasoon Saurabh

2025 arXiv arXiv preprint

Towards an understanding of dipole-dipole interactions in nonlocal media

L. Inácio, A. Kurumbail, S. K. Panja, I. Brevik, M. Boström

2025 arXiv arXiv preprint

Towards Quantum Advantage in Chemistry

Scott N. Genin, Ohyun Kwon, Seyyed Mehdi Hosseini Jenab, Seon-Jeong Lim, Taehyung Kim, Tae-Gon Kim, Rami Gherib, Angela F. Harper, Ilya G. Ryabinkin, Michael G. Helander

2025 arXiv arXiv preprint

Towards Quantum Software for Quantum Simulation

Maja Franz, Lukas Schmidbauer, Joshua Ammermann, Ina Schaefer, Wolfgang Mauerer

2025 arXiv arXiv preprint

Toxicity and biodistribution comparison of functionalized nanodiamonds, quantum dot nanocarbons and gold nanoparticles

Elena Alexander, Kam W. Leong

2025 DOAJ Frontiers in Nanotechnology

Toxicity optimization of green zinc oxide quantum dots in zebrafish using Box-Behnken design: a novel approach for safer nanoparticle synthesis.

R MNF, M C, R S, S P

2025 PubMed Drug and chemical toxicology

Tree Tensor Networks Methods for Efficient Calculation of Molecular Vibrational Spectra

Shuo Sun, Richard M. Milbradt, Stefan Knecht, Chandan Kumar, Christian B. Mendl

2025 arXiv arXiv preprint

Triphasic WO <sub>3</sub> /Periodic Acid System for Amine‐Specific Complexation and Ultrafast Photocatalytic Mineralization with Exceptional Quantum Efficiency

Fei He, Shuhao Sun, Beibei Cai, Rui Tian, Myoung Won Chung, Seunghyun Weon, Wonyong Choi

2025 Crossref Advanced Functional Materials

Tunable Optical and Photoluminescence Properties of Metal X (Ni, Co, Mn, Ag)-Doped ZnSe Quantum Dots: Structural, Spectroscopic, and Colorimetric Analysis

Thi Diem Bui, Quang Liem Nguyen, Van Cuong Nguyen, Trong Tang Nguyen, Huu Phuc Dang

2025 DOAJ Bulletin of Chemical Reaction Engineering & Catalysis

Tunable quantum Mpemba effect in long-range interacting systems

Andrew Hallam, Matthew Yusuf, Aashish A. Clerk, Ivar Martin, Zlatko Papić

2025 arXiv arXiv preprint