Quantum Chemistry
112 papers for year 2012
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 13-24 of 112
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
Conformational and stereoelectronic investigation of tryptamine. An AIM/NBO study.
Lobayan RM, Pérez Schmit MC, Jubert AH, Vitale A
Correlation between Quantum Conductance and Atomic Arrangement of Silver Atomic-Size Nanowires
M. J. Lagos, P. A. S. Autreto, D. S. Galvao, D. Ugarte
Crystal structure, detonation performance, and thermal stability of a new polynitro cage compound: 2, 4, 6, 8, 10, 12, 13, 14, 15-nonanitro-2, 4, 6, 8, 10, 12, 13, 14, 15-nonaazaheptacyclo [5.5.1.1(3, 11).1 (5, 9)] pentadecane.
Zhang JY, Du HC, Wang F, Gong XD, Ying SJ