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 3265-3276 of 3,656
Intense upconversion luminescence and effect of local environment for Tm3+/Yb3+ co-doped novel TeO2-BiCl3 glass system.
Wang G, Dai S, Zhang J, Wen L, Yang J, Jiang Z
Involvement of nitric oxide in light-mediated greening of barley seedlings.
Zhang L, Wang Y, Zhao L, Shi S, Zhang L
IR and quantum-chemical studies of carboxylic acid and glycine adsorption on rutile TiO2 nanoparticles.
Ojamäe L, Aulin C, Pedersen H, Käll PO
Light harvesting tetrafullerene nanoarray for organic solar cells.
Atienza CM, Fernández G, Sánchez L, Martín N, Dantas IS, Wienk MM, Janssen RA, Rahman GM, Guldi DM
Matrix isolation and computational study of the photochemistry of p-azidoaniline.
Pritchina EA, Gritsan NP, Bally T
Model studies of the (6-4) photoproduct photoreactivation: efficient photosensitized splitting of thymine oxetane units by covalently linked tryptophan in high polarity solvents.
Song QH, Wang HB, Tang WJ, Guo QX, Yu SQ
Molecular and vibrational structure of 2-mercapto pyrimidine and 2,4-diamino-6-hydroxy-5-nitroso pyrimidine: FT-IR, FT-Raman and quantum chemical calculations.
Krishnakumar V, John Xavier R
Molecular mechanisms of antibiotic resistance: QM/MM modelling of deacylation in a class A beta-lactamase.
Hermann JC, Ridder L, Höltje HD, Mulholland AJ
Molecular modeling of new camptothecin analogues to circumvent ABCG2-mediated drug resistance in cancer.
Nakagawa H, Saito H, Ikegami Y, Aida-Hyugaji S, Sawada S, Ishikawa T
Molecular structure, IR and Raman spectra as well as DFT chemical calculations for alkylaminoacetylureas: vibrational characteristics of dicarbonylimide bridge.
Ciurla H, Michalski J, Hanuza J, Maczka M, Talik T, Talik Z
Molecular structures of the 1,6-disubstituted triptycenes Sb2(C6F4)3 and Bi2(C6F4)3 using gas-phase electron diffraction and ab initio and DFT calculations.
Wann DA, Hinchley SL, Robertson HE, Al-Jabar NA, Massey AG, Rankin DW
Non-linear effects in the quenching of fluorescent quantum dots by nitroxyl free radicals.
Laferrière M, Galian RE, Maurel V, Scaiano JC