Quantum Chemistry
3,656 papers from PubMed
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 697-708 of 3,656
Eliminating spin-asymmetric orbital instabilities of unrestricted MRSF-TDDFT via selective Jacobi rotation.
Makhnev V, Park W, Komarov K, Nakata H, Lee S, Choi CH
Elucidating Au-C bonding via laser spectroscopy of gold monocarbide.
Weldon RM, Darling DM, Albright NM, Rice KL, Salerno PL, Stuntz KC, Augenbraun BL
Elucidating many-body effects in molecular core spectra through real-time approaches: Efficient classical approximations and a quantum perspective.
Abraham V, Senapati P, Pathak H, Peng B
Elucidating structure-activity relationships of benzopyran derivatives as inhibitors of Chikungunya virus nsP2 and nsP4 via integrated docking, molecular dynamics, and DFT studies.
Dansana J, Acharya SS, Meher BR
Elucidating the corrosion inhibition mechanism of benzimidazole-based molecules on carbon steel: An integrated experimental and DFT/DFTB/MD molecular modelling study.
Halioui C, Timoudan N, Bensalah J, El Faydy M, Rbaa M, Elouhabi N, Bouabbadi A, Safi Z, Wazzan N, Benhiba F, Zarrok H, Oudda H, Zarrouk A
Elucidating the Origin of Hidden Limitations in Ru-Complex/Ag/Polymeric Carbon Nitride Hybrid Photocatalysts for Visible-Light CO(2) Reduction.
Nakada R, Nagao R, Onodera J, Zhang X, Oura M, Okazaki M, Tanaka T, Koda R, Tanaka M, Onda K, Maeda K
Emergence of a Fluctuating Ground State in Y-Kapellasite under Pressure.
Chatterjee D, Doležal P, Abbruciati F, Biesner T, Zoch KM, Khasanov R, Islam SS, Kaur G, Roh S, Capitani F, Rodrigues JEFS, Garbarino G, Krellner C, Mendels P, Kermarrec E, Dressel M, Wehinger B, Pustogow A, Bert F, Puphal P
Emerging haemostatic sprays: From material design to clinical translation.
Nepal A, Tran H, Nguyen NT, Ta HT
Emerging Nanomaterials for Advanced Water Decontamination: Opportunities and Challenges.
Kesarwani S, Tripathy DB, Verma R, Hung YT
Emission dipole orientation reveals dynamic single-molecule interactions with 2D crystals at solvent interfaces.
Guo W, Chen TH, Ronceray N, Mayner E, Watanabe K, Taniguchi T, Radenovic A
Emissive Liquid Crystalline Boron C,N-Chelates: Synthesis, Self-assembly, and Photophysical Properties.
Müller F, Feucht F, Beck A, Seher R, Zens A, Kästner J, Molard Y, Laschat S
Emissive Room-Temperature Ionic Liquids Enabled by Dialkylphospholium-Based Tetracyclic Cores with Bulky Counter Anions.
Murai M, Kamegai S, Andoh K, Yamaguchi S