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 2713-2724 of 3,656
Understanding the kinetics and molecular mechanism of unimolecular gas phase thermal decomposition of the α-ketoester methyl benzoylformate using RRKM and BET theories.
Keley V, Zahedi E
Detection of Single Quantum Dots in Model Systems with Sheet Illumination Microscopy.
Friedrich M, Nozadze R, de Keijzer S, Steinmeyer R, Ermolayev V, Harms GS
Emerging applications of nanomedicine in dermatology.
Saraceno R, Chiricozzi A, Gabellini M, Chimenti S
Quantum dot 705, a cadmium-based nanoparticle, induces persistent inflammation and granuloma formation in the mouse lung.
Ho CC, Chang H, Tsai HT, Tsai MH, Yang CS, Ling YC, Lin P
Transferability of atomic multipoles in amino acids and peptides for various density partitions.
Woińska M, Dominiak PM
A B3LYP and MP2(full) theoretical investigation into explosive sensitivity upon the formation of the molecule-cation interaction between the nitro group of 3,4-dinitropyrazole and H+, Li+, Na+, Be2+ or Mg2+.
Du S, Wang Y, Chen LZ, Shi WJ, Ren FD, Li YX, Wang JL, Cao DL
A comparative study on the B12N12, Al12N12, B12P12 and Al12P12 fullerene-like cages.
Beheshtian J, Bagheri Z, Kamfiroozi M, Ahmadi A
A novel approach for the synthesis of superparamagnetic Mn3O4 nanocrystals by ultrasonic bath.
Rohani Bastami T, Entezari MH
A QSAR study of radical scavenging antioxidant activity of a series of flavonoids using DFT based quantum chemical descriptors--the importance of group frontier electron density.
Sarkar A, Middya TR, Jana AD
A systematical comparison of DFT methods in reproducing the interaction energies of halide series with protein moieties.
Liu X, Zhou P, Shang Z
Ab initio and DFT study of luminescent cyclometalated N-heterocyclic carbene organogold(III) complexes.
Yang B, Zhang Q, Zhong J, Huang S, Zhang HX
Alchemical prediction of hydration free energies for SAMPL.
Mobley DL, Liu S, Cerutti DS, Swope WC, Rice JE