Quantum Chemistry
48 papers for year 2002 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 1-12 of 48
2-Pyridinethiol/2-pyridinethione tautomeric equilibrium. A comparative experimental and computational study.
Moran D, Sukcharoenphon K, Puchta R, Schaefer HF 3rd, Schleyer PV, Hoff CD
Ab initio QM/MM dynamics simulation of the tetrahedral intermediate of serine proteases: insights into the active site hydrogen-bonding network.
Topf M, Várnai P, Richards WG
Aqueous synthesis of III-V semiconductor GaP and InP exhibiting pronounced quantum confinement.
Gao S, Lu J, Chen N, Zhao Y, Xie Y
Automated analysis of large sets of heteronuclear correlation spectra in NMR-based drug discovery.
Damberg CS, Orekhov VY, Billeter M
B4CO2: a new, observable sigma-pi diradical.
Zhou M, Xu Q, Wang ZX, Schleyer Pv
Bichromophoric perylene derivatives: energy transfer from non-fluorescent chromophores.
Langhals H, Saulich S
Binding affinities and geometries of various metal ligands in peptide deformylase inhibitors.
Madison V, Duca J, Bennett F, Bohanon S, Cooper A, Chu M, Desai J, Girijavallabhan V, Hare R, Hruza A, Hendrata S, Huang Y, Kravec C, Malcolm B, McCormick J, Miesel L, Ramanathan L, Reichert P, Saksena A, Wang J, Weber PC, Zhu H, Fischmann T
Characterization of the structure and dynamics of a near-native equilibrium intermediate in the unfolding pathway of an all beta-barrel protein.
Srimathi T, Kumar TK, Chi YH, Chiu IM, Yu C
Chemical shifts in amino acids, peptides, and proteins: from quantum chemistry to drug design.
Oldfield E
Chlorine oxide radicals ClOx (x = 1-4) studied by matrix isolation spectroscopy.
Kopitzky R, Grothe H, Willner H
Colloidal transition-metal-doped ZnO quantum dots.
Radovanovic PV, Norberg NS, McNally KE, Gamelin DR
Competing classical and quantum effects in shape relaxation of a metallic island.
Okamoto H, Chen D, Yamada T