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 8569-8580 of 8,661
Scaling law for second-order hyperpolarizability in poly(triacetylene) molecular wires.
Gubler U, Bosshard C, Günter P, Balakina MY, Cornil J, Brédas JL, Martin RE, Diederich F
Simple linear QSAR models based on quantum similarity measures.
Amat L, Carbó-Dorca R, Ponec R
Simulation studies of optimum energies for DXA: dependence on tissue type, patient size and dose model.
Michael GJ, Henderson CJ
Solid-state single and triple-quantum 93Nb MAS NMR studies of ferroelectric Pb(Mg1/3Nb2/3)O3 and a related pyrochlore.
Cruz LP, Rocha J, Pedrosa de Jesus JD, Savariault JM, Galy J
Spectroscopic and kinetic studies on the oxygen-centered radical formed during the four-electron reduction process of dioxygen by Rhus vernicifera laccase.
Huang H, Zoppellaro G, Sakurai T
Strategies for extracting NMR parameters from 23Na MAS, DOR and MQMAS spectra. A case study for Na4P2O7.
Engelhardt G, Kentgens AP, Koller H, Samoson A
Structure-activity relationship studies of carcinogenic activity of polycyclic aromatic hydrocarbons using calculated molecular descriptors with principal component analysis and neural network methods.
Vendrame R, Braga RS, Takahata Y, Galvão DS
Synthesis and Characterization of InAs/InP and InAs/CdSe Core/Shell Nanocrystals.
Cao YW, Banin U
Synthesis, and cytotoxic activity of some novel indolo[2,3-b]quinoline derivatives: DNA topoisomerase II inhibitors.
Kaczmarek L, Peczyńska-Czoch W, Osiadacz J, Mordarski M, Sokalski WA, Boratyński J, Marcinkowska E, Glazman-Kuśnierczyk H, Radzikowski C
Synthesis, photochemistry and application of (7-methoxycoumarin-4-yl)methyl-caged 8-bromoadenosine cyclic 3',5'-monophosphate and 8-bromoguanosine cyclic 3',5'-monophosphate photolyzed in the nanosecond time region.
Hagen V, Bendig J, Frings S, Wiesner B, Schade B, Helm S, Lorenz D, Kaupp UB
The 5/2,3/2 Spin Admixture in the Chloroiron(III) Derivative of the Sterically Crowded 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetraphenylporphyrin.
Schünemann V V, Gerdan M, Trautwein AX, Haoudi N, Mandon D, Fischer J, Weiss R, Tabard A, Guilard R
The d(0), d(1) and d(2) Configurations in Known and Unknown Tetrathiometal Compounds MS(4)(n)()(-) (M = Mo, Tc, Ru; W, Re, Os). A Quantum Chemical Study.
Zális S, Stoll H, Baerends EJ, Kaim W