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 2725-2736 of 3,656
Amphiphilic adsorption of human islet amyloid polypeptide aggregates to lipid/aqueous interfaces.
Xiao D, Fu L, Liu J, Batista VS, Yan EC
Are formal oxidation states above one viable in cyclopentadienylcopper cyanides?
Wang C, Zhang X, Li QS, Xie Y, King RB, Schaefer HF 3rd
Aromatic character of heptafulvene and its complexes with halogen atoms.
Krygowski TM, Oziminski WP, Cyrański MK
Binding and antioxidant properties of therapeutically important plant flavonoids in biomembranes: insights from spectroscopic and quantum chemical studies.
Pahari B, Chakraborty S, Chaudhuri S, Sengupta B, Sengupta PK
CdSe/ZnS core shell quantum dot-based FRET binary oligonucleotide probes for detection of nucleic acids.
Peng Y, Qiu C, Jockusch S, Scott AM, Li Z, Turro NJ, Ju J
Characterisation and cooperative antimicrobial properties of chitosan/nano-ZnO composite nanofibrous membranes.
Wang Y, Zhang Q, Zhang CL, Li P
Characteristic vibration patterns of odor compounds from bread-baking volatiles upon protein binding: density functional and ONIOM study and principal component analysis.
Treesuwan W, Hirao H, Morokuma K, Hannongbua S
Characterization of the PEG layer of sterically stabilized liposomes: a SAXS study.
Varga Z, Wacha A, Vainio U, Gummel J, Bóta A
Combination of docking, molecular dynamics and quantum mechanical calculations for metabolism prediction of 3,4-methylenedioxybenzoyl-2-thienylhydrazone.
Braga RC, Alves VM, Fraga CA, Barreiro EJ, de Oliveira V, Andrade CH
Combinatorial screening of polymer precursors for preparation of benzo[α] pyrene imprinted polymer: an ab initio computational approach.
Khan MS, Wate PS, Krupadam RJ
Comment on: "Comparative vibrational analysis of 1,2-dinitrobenzene and 1-fluoro-3-nitrobenzene" by S Ramalingam, S. Periandy et al. [Spectrochim. Acta A 84 (2011) 86-98].
Tomkinson J
Computational investigation of a new ion-pair receptor for calix[4]pyrrole.
Xia Y, Wang X, Zhang Y, Luo B, Liu Y