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 2437-2448 of 8,661
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 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 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 orientation determined in transmission and reflection: q-plate
Hsin-Hui Huang, Meguya Ryu, Shuji Kamegaki, Haoran Mu, Eulalia Puig Vilardell, Vijayakumar Anand, Jitraporn Vongsvivut, Nguyen Hoai An Le, Tomas Katkus, Gediminas Seniutinas, Junko Morikawa, Saulius Juodkazis
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