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 1405-1416 of 9,538
From Near‐Metallic to Wide‐Gap Semiconductors: Elastic Resilience and Record Hydrogen Densities in Tetragonal A <sub>2</sub> <scp>BH</scp> <sub>4</sub> (A = Li, Na; B = Be, Mg) From <scp>DFT</scp> and Molecular Dynamics
Mohamed El Amine El Goutni, Hela Ferjani, Mohammed Batouche, Taieb Seddik, Yasmeen G. Abou El‐Reash, Mohamed Houcine Dhaou
From Nonlinear Stochastic Differential Equations to Quantum Channels: The Kolmogorov--Lindblad Mapping
Hsuan-Cheng Wu, Xiantao Li
From PECs to Spectrum and From Spectrum to PECs: A Morse Protocol for Diatomic X-ray Absorption.
Wei M, Zhang L, Zuo J, Tian G, Hua W
From persistence to reactivity: halogen-regulated photosensitization of xanthene chromophores for sustainable water purification.
Mei B, Qin F, Qin D, Luo H, Liu Y, Wang H, Lai B, Zhang C
From Potentials to Properties: Data-Driven Many-Body Simulations of Water and Aqueous Systems.
Paesani F, Rashmi R, Agnew H, Zhu X, Bull-Vulpe EF, Zhou R
From Sequential Molecular Adsorption on Atomically Precise Ag(29) Nanoclusters to Aggregates of Soot-Like Particles.
Roy J, Neumaier M, Plett C, Chakraborty P, Som A, Jana A, Grimme S, Hahn H, Kappes MM, Pradeep T
From structure to reactivity: quantum crystallography in organometallic chemistry
F. Meurer, G. Riesinger, F. Kleemiss, M. Bodensteiner
From sulfur byproduct to robust oil-dispersible sulfur quantum dots: Enabling simple fabrication of composite films for UV blocking and blue light conversion
Pengxiang Gao, Meiting Lu, Tengbao Li, Weizhen Liu, Li Zhou
From Symmetry and Reduction to Physically Meaningful Relational Observables in Many-Body Quantum Theory
Ville J. Härkönen
From Synthesis to Application: The Transformative Role of Graphene-Based Quantum Dots in Biomedicine.
Huang M, Dissanayaka WL, Yiu CK
From Upconversion Nanoparticles to Proteins: Probing Hydration-Water Density Fluctuations by Luminescence Thermometry.
Raposo Filho RS, Guo Y, Maturi FE, Brites CDS, Carlos LD
From vineyard waste to smart sensors: Nitrogen-doped carbon quantum dot prepared from grape leaves and applications in high-sensitivity visual detection of gallic acid.
Zhong L, Peng Z, Zhang X, Guo Z, Xing S, Liu B, Yan Q, Shi L, Wang H, Shen H, Bian Y, Shao L, Kang W