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 1981-1992 of 3,656
Structural Modulation Reduces Carrier Localization and Enhances Organic-Inorganic Coupling to Improve Charge Transport in Hybrid Manganese Halide X-Ray Detectors.
Zhou F, Peng G, Jiang C, Li Z, Jin Z, Wang Q
Structural reconstruction-induced electronic Kagome lattices with low-energy flat bands in twisted double bilayer graphene.
Zhang MH, Zhang Y, Hao CY, Guo ZH, Yan C, Zhao YX, Ren YN, Gao JH, Yuan S, He L
Structural, Electronic, and Optical Properties of Monoclinic Pharmaceutical Crystals: A DFT Study of Salicylic Acid, Acetylsalicylic Acid, Acetaminophen, and Ibuprofen.
Ferreira LL, Alves MS, P Oliveira ME, Freire VN, Silva BP, Silva JB, Caetano EWS
Structural, linear, and nonlinear optical properties of ortho-carboranyl luminophores: insights from DFT and TD-DFT studies.
Samsar D, Hannachi D, Zaidi M, Aroule O, Hoffmann G, Chermette H
Structural, Thermodynamic, and Spectroscopic Characterization of Diphosgene and Triphosgene.
Ringelband S, Parker SF, Tambornino F
Structurally diverse clerodane diterpenoids with anti-inflammatory and anti-diabetic effects from Tinospora crispa (L.) Hook.f. & Thomson.
Chen X, Gao T, Wang Q, Yuan Y, Yu C, Li J, Huang X, Xiong H, Mei Z, Yang G, Chen Y
Structurally diverse polycyclic polyprenylated acylphloroglucinols with promising antibacterial activity from the flowers of Mesua ferrea.
Zhang Q, Ma J, Zang W, Yang X, Lu C, Shen Y
Structure and biochemical analyses suggest that PrkA/YeaG protein of Thermus thermophilus functions as a putative molecular chaperone.
Torii M, Kanno R, Mizoguchi A, Humbel BM, Tani K, Masui R
Structure and Luminescence Regulation in Y(3)Al(5)O(12):Cr(3+) via Cation Substitution to Achieve Broadband Near-Infrared Emitting Garnet Phosphor.
Meng Q, Zhang Y, Li X, Yu W, Wang Y, Xu Z, Li JG
Structure and vibrational spectra of formamidinium bromide.
Zamolotskikh S, Smirnov M, Pankin D, Roginskii E
Structure of Fluoride Anion Aqueous Solution Derived from X-ray Spectroscopy.
Carravetta V, Söderström J, de Brito AN, Öhrwall G, Ågren H, Rubensson JE, Agåker M, Ekholm V, Tokushima T, Ghosh A, Björneholm O
Structure-activity relationship and adsorption behavior of a thiazole-derived Schiff base corrosion inhibitor for mild steel: integrated experimental and theoretical study.
Aghamajidi F, Khalili MR, Masumi S, Mahdavi S, Tavangar R, Pour-Ali S