Quantum Chemistry
9,662 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 3301-3312 of 9,662
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, Electronic, and Thermoelectric Insights into the Novel K<sub>2</sub>OsCl<sub>3</sub>Ag<sub>3</sub> and Rb<sub>2</sub>OsCl<sub>3</sub>Ag<sub>3</sub> Perovskites
Nicholas O. Ongwen, Adel Bandar Alruqi
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, Spectroscopic, and Quantum Computational Analysis of Methyl 1,3-Diphenyl-1H-Naphthol[2,1-b]Pyran -2-carbodithioates: DFT, ADME and Molecular Docking Studies.
Kshetrimayum Ameeta Devi, N. Shubhaschandra Singh
Structural, Thermodynamic, and Spectroscopic Characterization of Diphosgene and Triphosgene.
Ringelband S, Parker SF, Tambornino F
Structurally characterized three-dimensional pincer-based chiral dibenzobarrelene scaffold analysis, DFT, molecular docking, and Hirshfeld surface analysis
Poonam Rajesh Prasad, Pranav Shreyaskar, Biswajit Maiti, Somenath Garai, Sher Singh, Diksha Katiyar
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