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 1069-1080 of 8,661
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 structure to reactivity: quantum crystallography in organometallic chemistry
F. Meurer, G. Riesinger, F. Kleemiss, M. Bodensteiner
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
From Yellow to Red: Emission Tuning of Benzothioxanthene Imides Through Selective Multi-Arylamine Functionalization.
Ghanem T, Plassais N, Gasonoo A, Seo JH, Walker B, Blanchard P, Monnereau C, Lungerich D, David AHG, Welch GC, Cabanetos C
From π to σ: Enhanced Charge Transport in Iodine-Substituted Benzene Junctions.
Fujii S, Yoshikawa I, Miura M, Goto H, Nishino T, Saito M
Frozen natural orbitals for projection-based embedding method and its application to quantum computation.
Cheng T, Zeng J, Yang M
Full-dimensional quantum scattering calculations of rovibrationally excited HD+HD collisions
Bikramaditya Mandal, Hubert Jóźwiak, Piotr Wcisło, Naduvalath Balakrishnan
Full-quantum variational dynamics simulation for time-dependent Hamiltonians with global spectral discretization
Minchen Qiao, Zi-Ming Li, Yu-xi Liu
Full-range analytical potential for the a(3) Σ(+) state of LiNa: robust prediction of vibrational levels and scattering length.
Li D, Sheng X