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 3313-3324 of 9,662
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
Structure-dependent inhibition of human carboxylesterase 1 by organophosphate esters: integrated in vitro profiling and 3D-QSAR interpretation.
Cao Z, Men S, Li Z, Liu G, Su Q, Chen X, Che X, Jin H
Structure-dependent reactive oxygen species generation by scintillator-free X-ray-activated porphyrins: insights into charge effects and internal conversion quantum yield.
Aramaki S, Okazaki S, Ji Q, Dubail M, Shogo T, Zhang C, Li W, Kaminaga K, Ishiwata H, Igarashi R, Yada R, Sakamoto M, Wakabayashi K, Konishi K, Shimizu K, Kahyo T, Setou M, Nakamura K
Structure-ecotoxicity relationships and risk assessment of 0D-3D carbon nanomaterials across aquatic trophic levels.
Boncel S, Szozda N, Kalka J, Blacha A, Ruczka S, Małecka M, Cichy P
Structure-induced enhancement of charge transport in DNA via bis-daunomycin intercalation.
Pardhi K, Masaram K, Patil B, Chandra S, Singh RK, More AM, Patil SR
Structure-informed prediction of organic matter thermodynamics from quantum chemistry and machine learning
Thomas P. Sibille, Klaus-Holger Knorr, Oliver J. Lechtenfeld, Maximilian P. Lau
Structure-property relationships in chalcones with extended π-conjugation: ICT perturbation and red fluorescence.
Corbin B, Houglan P, Chen WY, Ziegler CJ, Pang Y
Structure-property relationships in saccharide-derived carbon dots: Tuning oxygen functionalities and sp(2) domains for antioxidant performance.
Wibowo A, Khan MJ, Sawatdee S, Pornputthapitak W, Tuntithavornwat S, Srifa A, Posoknistakul P, Pornsuwan S, Laosiripojana N, Jiang Y, Sansanaphongpricha K, Sakdaronnarong C
Structure, Stability, and Spin Resonance in Dicopper(II) Complexes.
Üngör Ö, Chiang NY, Sokolov AY, Zadrozny JM
Structured detection microscopy
Larnii Booth, Kyle Clunies-Ross, Rumelo Amor, Nicolas Mauranyapin, Zixin Huang, Michael A. Taylor, Warwick P. Bowen
Studies of KCrTe(2) and Its Conversion to Easy-Peel 1T-CrTe(2).
Prasad K, Hubble Z, Upreti D, Karki P, Hu J, Ambal K, Wang J