Quantum Chemistry
9,039 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 8941-8952 of 9,039
Portable fiber-coupled diode-laser-based sensor for multiple trace gas detection.
Lancaster DG, Richter D, Tittel FK
Prediction of inhibitor binding free energies by quantum neural networks. Nucleoside analogues binding to trypanosomal nucleoside hydrolase.
Braunheim BB, Miles RW, Schramm VL, Schwartz SD
Predictive carcinogenicity: a model for aromatic compounds, with nitrogen-containing substituents, based on molecular descriptors using an artificial neural network.
Gini G, Lorenzini M, Benfenati E, Grasso P, Bruschi M
Protein-assisted pericyclic reactions: an alternate hypothesis for the action of quantal receptors.
Radding W, Romo T, Phillips GN Jr
Proton transfer from histidine 244 may facilitate the 1,2 rearrangement reaction in coenzyme B(12)-dependent methylmalonyl-CoA mutase.
Maiti N, Widjaja L, Banerjee R
Role of hydration water in protein unfolding.
Robinson GW, Cho CH
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