Structural and energetic properties of RMX3-NH3 complexes

We have explored the structural and energetic properties of a series of RMX₃-NH₃ (M=Si, Ge; X=F, Cl; R=CH₃, C₆H₅) complexes using density functional theory and low-temperature infrared spectroscopy. In the minimum-energy structures, the NH₃ binds axially to the metal, opposite a halogen, while the organic group resides in an equatorial site. Remarkably, the primary mode of interaction in several of these systems seems to be hydrogen bonding (C-H--N) rather than a tetrel (N→M) interaction. This is particularly clear for the RMCl₃-NH₃ complexes, and analyses of the charge distributions of the acid fragment corroborate this assessment. We also identified a set of metastable geometries in which the ammonia binds opposite the organic substituent in an axial orientation. Acid fragment charge analyses also provide a clear rationale as to why these configurations are less stable than the minimum-energy structures. Matrix-isolation infrared spectra provide clear evidence for the occurrence of the minimum-energy form of CH₃SiCl₃–NH₃, but analogous results for CH₃GeCl₃–NH₃ are less conclusive. Computational scans of the M-N distance potentials for CH₃SiCl₃–NH₃ and CH₃GeCl₃–NH₃, both in the gas phase and bulk dielectric media, reveal a great deal of anharmonicity and a propensity for condensed-phase structural change.     

碱基与氮甲基乙酰胺相互作用的从头算和ABEEMσπ研究

选取氮甲基乙酰胺(N-Methylacetamide,NMA)和DNA碱基为研究对象,应用ABEEMσπ/MM方法研究了NMA与碱基之间形成的二聚体的几何构型、电荷分布及结合能等性质,并进行了相应的从头算(abinitio)MP2水平研究,在B3LYP/6-311 ++G(d,p)水平下对结构进行了优化.将2种方法的研...     

Isospin violating mechanisms in quarkonium hadronic decays

We analyze the φ meson production in e^＋e^- →ωπ^0 as a probe for studying the isospin violation mechanisms. By clarifying the dynamic sources causing the isospin violation, we succeed in quantifying those mechanisms with the help of the recent KLOE data. Hence, the φ→ωπ^0 branching ratio is extracted. We find that apart from the electromagnetic （EM） transitions, the strong transition via intermediate kaon loops plays an important role in understanding the cross section and its lineshape.     

Recent results for single meson production from the Crystal-Barrel/TAPS experiment at ELSA

The present focus of the CBELSA/TAPS experiment is on meson-photoproduction off the nucleon using polarized photons and polarized targets. Here first preliminary results on the reactions γp → pπ and γp → pπ for both circularly and linearly polarized photons and a longitudinally polarized target are presented. Preliminary results for the beam asymmetry ∑ and the double polarization observable G have been extracted for both reactions using the linear polarization data. From the circular polarization data the observable E has been determined. Due to the near 4π angular coverage of the detector system these results cover almost the full solid angle.     

Precision measurements of strangeness photoproduction at threshold energies with the Crystal Ball at MAMI-C

The photoproduction of K＋ mesons from the nucleon provides important constraints on the nucleon excitation spectrum and at threshold energies challenges effective field theories based on chiral perturbation in the strange quark sector. Preliminary cross-section measurements for γ（P, K＋）A are presented at an unprecedented beam energy resolution. The data was collected at the MAMI-C facility in Mainz using the Crystal Ball Detector. A new method of K＋ detection was used in which the K＋ is tagged from its weak decay products in the detector crystals. This technique has application with other calorimeters at present and future hadron facilities.     

Quantal symmetries in the non-linear σ model with Maxwell and non-Abelian Chern-Simons terms

The quantal symmetry property of the CP1 nonlinear σ model with Maxwell non-Abelian ChernSimons terms in(2+1) dimension is studied.In the Coulomb gauge,the system is quantized by using the Faddeev-Senjanovic(FS) path-integral formalism.Based on the quantaum Noether theorem,the quantal conserved angular momentum is derived and the fractional spin at the quantum level in this system is presented.     

Study of pure annihilation decays Bd,s→DOD-O

Within the heavy quark limit and the hierarchy approximation Λqcd << Md << Mb,we analyze the B→DOD-O and Bs→ DOD-O decays,which occur purely via annihilation type diagrams.As a rough estimate,we calculate their branching ratios and CP asymmetries in the perturbative QCD (PQCD) approach.The branching ratio of B→ DOD-O is about 3.8×10-5 that is just below the latest experimental upper limit.The branching ratio of Bs→ DOD-O is about 6.8 × 10-4,which could be measured in LHC-b.From the calculation,it is found that this branching ratio is not sensitive to the weak phase angle γ.In these two decay modes,there exist CP asymmetries because of the interference between weak and strong interaction.However,these asymmetries are too small to be measured easily.     

A characterization of

This work is devoted to the relationship between topological properties of a space and those of (= the space of continuous real-valued functions on , with the topology of pointwise convergence). The emphasis is on -compactness of and on location of in . In particular, -compact cosmic spaces are characterized in this way.