Quantum Chemistry
3,656 papers from PubMed
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 2821-2832 of 3,656
Cd/Se/Te-based quantum dot 705 modulated redox homeostasis with hepatotoxicity in mice.
Lin CH, Yang MH, Chang LW, Yang CS, Chang H, Chang WH, Tsai MH, Wang CJ, Lin P
Chemical shift tensors: theory and application to molecular structural problems.
Facelli JC
Chlorophyll fluorescence images demonstrate variable pathways in the effects of plasma membrane excitation on electron flow in chloroplasts of Chara cells.
Krupenina NA, Bulychev AA, Schreiber U
Competitive diamond-like and endohedral fullerene structures of Si70.
Zhao LZ, Su WS, Lu WC, Wang CZ, Ho KM
Computational characterization of reaction intermediates in the photocycle of the sensory domain of the AppA blue light photoreceptor.
Khrenova MG, Domratcheva T, Schlichting I, Grigorenko BL, Nemukhin AV
Computational prediction of selectivities in nonreversible and reversible hydroformylation reactions catalyzed by unmodified rhodium-carbonyls.
Alagona G, Lazzaroni R, Ghio C
Conformational transitions of glycine induced by vibrational excitation of the O-H stretch.
Shmilovits-Ofir M, Miller Y, Gerber RB
Density functional study of structural, electronic, and optical properties of small bimetallic ruthenium-copper clusters.
Karagiannis EE, Kefalidis CE, Petrakopoulou I, Tsipis CA
Density functional theory combined with molecular mechanics: the infrared spectra of flavin in solution.
Rieff B, Mathias G, Bauer S, Tavan P
Development of a QSPR model for predicting thermal stabilities of nitroaromatic compounds taking into account their decomposition mechanisms.
Fayet G, Rotureau P, Joubert L, Adamo C
Dibutyltin(IV) complexes containing arylazobenzoate ligands: chemistry, in vitro cytotoxic effects on human tumor cell lines and mode of interaction with some enzymes.
Basu Baul TS, Paul A, Pellerito L, Scopelliti M, Singh P, Verma P, Duthie A, de Vos D, Tiekink ER
Did CDM particles of mass 2.47 x 10(-3) eV interact with precursor biopolymers and nucleic acids to initiate and boost lifeforms on Earth?
Rosen G