Intramolecular dynamics. III. Theoretical studies of the CH overtone spectra for benzene

The electronic states of the ionic excimer Ar + + 2 are calculated using ab initio multireference configuration interaction and effective core pseudopotentials. Among states dissociating into Ar+(2P)+Ar+(2P), all are found to be repulsive, except the ground state, which occurs to be quasibound near Re=4.1a0 with a well depth of >=230 cm^−1. All states originating from Ar++(3P,1D,1S)+Ar are bound with dissociation energies in the range 3200–4500 cm^−1 and equilibrium distances between 5.6a0 and 6a0. Simulation emission spectra from bound excited states are derived from the calculated potentials and the possible contribution of the Ar + + 2 ion to the third continuum fluorescence is discussed

GROWTH OF GRAPHENE FILMS AND GRAPHENE PATTERNS

Large area graphene can be fabricated by depositing carbon and catalytic metal thin film(s) on a substrate, heating the carbon and the catalytic metal, and forming graphene on the substrate. The catalytic metal is evaporated during the heating process. The catalytic metal can be, for example, nickel, cobalt, or iron

A new security architecture for SIP based P2P computer networks

Many applications are transferred from C/S (Client/Server) mode to P2P (Peer-to-Peer) mode such as VoIP (Voice over IP). This paper presents a new security architecture, i.e. a trustworthy authentication algorithm of peers, for Session Initialize Protocol (SIP) based P2P computer networks. A mechanism for node authentication using a cryptographic primitive called one-way accumulator is proposed to secure the P2P SIP computer networks. It leverages the distributed nature of P2P to allow for distributed resource discovery and rendezvous in a SIP network, thus eliminating (or at least reducing) the need for centralized servers. The distributed node authentication algorithm is established for the P2P SIP computer networks. The corresponding protocol has been implemented in our P2P SIP experiment platform successfully. The performance study has verified the proposed distributed node authentication algorithm for SIP based P2P computer networks

Learning over Knowledge-Base Embeddings for Recommendation

State-of-the-art recommendation algorithms -- especially the collaborative filtering (CF) based approaches with shallow or deep models -- usually work with various unstructured information sources for recommendation, such as textual reviews, visual images, and various implicit or explicit feedbacks. Though structured knowledge bases were considered in content-based approaches, they have been largely neglected recently due to the availability of vast amount of data, and the learning power of many complex models. However, structured knowledge bases exhibit unique advantages in personalized recommendation systems. When the explicit knowledge about users and items is considered for recommendation, the system could provide highly customized recommendations based on users' historical behaviors. A great challenge for using knowledge bases for recommendation is how to integrated large-scale structured and unstructured data, while taking advantage of collaborative filtering for highly accurate performance. Recent achievements on knowledge base embedding sheds light on this problem, which makes it possible to learn user and item representations while preserving the structure of their relationship with external knowledge. In this work, we propose to reason over knowledge base embeddings for personalized recommendation. Specifically, we propose a knowledge base representation learning approach to embed heterogeneous entities for recommendation. Experimental results on real-world dataset verified the superior performance of our approach compared with state-of-the-art baselines

Circulator based on spoof surface plasmon polaritons

Circulators based on spoof surface plasmon polaritons are designed and analyzed. In the letter, we use blade structure to realize the propagation of SSPPs wave and a matching transition is used to feed energy from coplanar waveguide to the SSPPs. And the circulator shows good nonreciprocal transmission characteristics. The simulation results indicate that in the frequency band from 5 to 6.6 GHz, the isolation degree and return loss basically reaches 15dB and the insertion loss is less than 0.5dB. Moreover, the use of confinement electromagnetic waves can decrease the size of the ferrite and show a broadband characteristic.Comment: 3 pages, 6 figures, submitted to IEEE antennas and wireless propagation letters on 27-Mar-201

Intramolecular dynamics. I. Curvilinear normal modes, local modes, molecular anharmonic Hamiltonian, and application to benzene

The Hamiltonian based on curvilinear normal modes and local modes (CNLM) is discussed using Wilson's exact vibrational Hamiltonian as basis, the CNLM representation diagonalizing only the normal mode block of FG matrix in curvilinear internal coordinates. Using CNLM the kinetic and potential energy operators for benzene are given, including cubic and quartic anharmonicity in the potential energy and cubic and quartic terms in the kinetic energy expansion in curvilinear coordinates. Using symmetrized coordinates and cubic and higher force constants the number and identity of the independent symmetry allowed (A1g) such force constants are obtained. The relation to conventional anharmonic force constants is then given and the allowed contributions of the latter are obtained. The results are applied to CH overtone spectra and intramolecular vibrational dynamics in Part III of this series