Dust particles generated in low temperature plasmas as used for microelectronics fabrication are often agglomerates of smaller monodisperse particles. The transport of these agglomerates, and the subsequent contamination of surfaces, depends on the details of ion-momentum transfer ~ion drag! to, and electrostatic forces on, the agglomerate. Given that the charge distribution on the surface of t...

Realistic molecular dynamics simulations of polyaminocarboxylate complexes of gadolinium (III) ion in water are performed, providing coordination numbers and average residence times in quantitative agreement with available experimental data. A theoretical analysis, based on fitting a fluctuating charges model on ab initio data, also indicates that charge transfer between the ion and the ligand ...

The Fast Beam-Ion Instability arises from interaction between a bunch and an ion cloud previously created by all heading bunches during a single pass. To study this e ect and to determine the required vacuum conditions for the TESLA FEL transfer line, a simulation code has been developed. The results of these simulation studies are presented in this paper.

One model for quantum networks1,2 is based on the probabilistic measurement of two photons, each entangled with a distant node, e.g., an atom or atomic ensemble3-7. A second, deterministic model transfers information directly from an atom onto a cavity photon, which carries it to a second node8, as recently demonstrated with neutral atoms9. In both cases, the challenge is to transfer informatio...

We studied photodissociation dynamics of adenine dimer radical ions, A2 , and hydrated adenine dimer ions, A þ 2 ðH2OÞn (n = 1–6), at three wavelengths. The most abundant daughter ion is found to be protonated adenines, (AH), which implies that proton transfer is followed by dissociation in A2 and A þ 2 ðH2OÞn. Theoretical calculations support that the most stable structures of A þ 2 and A þ 2 ...

The transfer of polyammonium ions, poly[(dimethylimino)-1,6-hexanediyl] (n = 140, n being the degree of polymerization) ion and poly[(dimethylimino)(2-oxo-1,2-ethanediyl)imino-alpha,omega-alkanediylimino(1-oxo-1,2-ethanediyl)(dimethylimino)-alpha',omega'-alkanediyl] ([-N+ (CH3)2CH2CONH(CH2)x NHCOCH2N+ (CH3)2(CH2)y-]n, x = 2, 3, 4, or 6, y = 3 or 6, and n = 30-130) ions, at a polarizable nitrobe...

We show here sodium ion cycling between complex I from Klebsiella pneumoniae and the F(1)F(0) ATP synthase from Ilyobacter tartaricus in a reconstituted proteoliposome system. In the course of NADH oxidation by complex I, an electrochemical sodium ion gradient was established and served as a driving force for the synthesis of ATP from ADP and phosphate. In the opposite direction, the deltamu(Na...

A diabetic description of charge transfer between atoms and ionic surfaces is presented, specifically examining the F/LiF(100) and F/KI(100) systems for which experiment shows ion formation to be very efficient. Potential energy surfaces describing the energetics for these systems have been generated with a semi-empirical scheme. At the site of charge exchange, there is a curve-crossing between...

MP2/aug'-cc-pVTZ calculations have been carried out to investigate the halogen-bonded complexes formed when CO and CS act as electron-pair donors through C to ClF, ClNC, ClCl, ClOH, ClCN, ClCCH, and ClNH₂. CO forms only complexes stabilized by traditional halogen bonds, and all ClY molecules form traditional halogen-bonded complexes with SC, except ClF which forms only an ion-pair complex. Ion-...