Search results for " CLUSTER"
showing 10 items of 2162 documents
Femtometer accuracy EXAFS measurements: Isotopic effect in the first, second and third coordination shells of germanium
2009
The analysis of the EXAFS signals from 70Ge and 76Ge has evidenced the low-temperature effect of isotopic mass difference on the amplitude of relative atomic vibrations. This effect is reflected in the difference of the Debye-Waller factors of the first three coordination shells, and on the difference of nearest-neighbour average interatomic distances, evaluated with femtometer accuracy. The experimental results are in agreement with theoretical expectations.
A coupled cluster study of the 1 1A1g and 1 1B2u states of benzene
1998
A theoretical investigation of the equilibrium structures and harmonic frequencies of the 1 1A1g and 1 1B2u states of benzene is presented. The performance of coupled cluster singles (CCS), the recently proposed CC2 model, and coupled cluster singles and doubles (CCSD) is compared. The CC2 ground and excited states frequencies are a significant improvement of the CCS results and are relatively close to the CCSD results. A comparative analysis of the vibrations in the two electronic states of both C6H6 and C6D6 is presented. The reliability of predicted shifts in harmonic frequencies between the two states and isotopic shifts is estimated on the basis of the convergence in the CCS, CC2, and …
Molecular docking and pharmacogenomics of vinca alkaloids and their monomeric precursors, vindoline and catharanthine.
2011
International audience; Vinblastine and vincristine are dimeric indole alkaloids derived from (formerly: ). Their monomeric precursor molecules are vindoline and catharanthine. While vinblastine and vincristine are well-known mitotic spindle poisons, not much is known about vindoline and catharanthine. Vindoline and catharanthine showed weak cytotoxicity, while vinblastine, vincristine, and the semisynthetic vindesine and vinorelbine revealed high cytotoxicity towards cancer cells. This may reflect a general biological principle of poisonous plants. Highly toxic compounds are not only active towards predators, but also towards plant tissues. Hence, plants need mechanisms to protect themselv…
EDGE: explorer of diffuse emission and gamma-ray burst explosions
2009
How structures on various scales formed and evolved from the early Universe up to present time is a fundamental question of astrophysical cosmology. EDGE will trace the cosmic history of the baryons from the early generations of massive star by Gamma-Ray Burst (GRB) explosions, through the period of cluster formation, down to very low redshifts, when between a third and one half of the baryons are expected to reside in cosmic filaments undergoing gravitational collapse by dark matter (Warm Hot Intragalactic Medium: WHIM). In addition EDGE, with its unprecedented observational capabilities, will provide key results on several other topics. The science is feasible with a medium class mission …
Part-of-Speech Induction by Singular Value Decomposition and Hierarchical Clustering
2006
Part-of-speech induction involves the automatic discovery of word classes and the assignment of each word of a vocabulary to one or several of these classes. The approach proposed here is based on the analysis of word distributions in a large collection of German newspaper texts. Its main advantage over other attempts is that it combines the hierarchical clustering of context vectors with a previous step of dimensionality reduction that minimizes the effects of sampling errors.
Correction: “On-the-fly” coupled cluster path-integral molecular dynamics: impact of nuclear quantum effects on the protonated water dimer
2015
We present an accelerated ab initio path-integral molecular dynamics technique, where the interatomic forces are calculated “on-the-fly” by accurate coupled cluster electronic structure calculations. In this way not only dynamic electron correlation, but also the harmonic and anharmonic zero-point energy, as well as tunneling effects are explicitly taken into account. This method thus allows for very precise finite temperature quantum molecular dynamics simulations. The predictive power of this novel approach is illustrated on the example of the protonated water dimer, where the impact of nuclear quantum effects on its structure and the 1H magnetic shielding tensor are discussed in detail.
Performance of polarization-consistent vs. correlation-consistent basis sets for CCSD(T) prediction of water dimer interaction energy
2019
Abstract Detailed study of Jensen’s polarization-consistent vs. Dunning’s correlation-consistent basis set families performance on the extrapolation of raw and counterpoise-corrected interaction energies of water dimer using coupled cluster with single, double, and perturbative correction for connected triple excitations (CCSD(T)) in the complete basis set (CBS) limit are reported. Both 3-parameter exponential and 2-parameter inverse-power fits vs. the cardinal number of basis set, as well as the number of basis functions were analyzed and compared with one of the most extensive CCSD(T) results reported recently. The obtained results for both Jensen- and Dunning-type basis sets underestimat…
Leakage radiation microscopy of surface plasmon coupled emission: investigation of gain-assisted propagation in an integrated plasmonic waveguide.
2010
International audience; Using a single-mode dielectric-loaded surface plasmon polariton waveguide doped with quantum dots, we were able to slightly increase the propagation length of the mode by stimulated emission of plasmon. We analyse the amplification phenomenon in the visible range by combining leakage radiation microscopy and surface plasmon coupled emission techniques.
Data Stream Clustering for Application-Layer DDoS Detection in Encrypted Traffic
2018
Application-layer distributed denial-of-service attacks have become a serious threat to modern high-speed computer networks and systems. Unlike network-layer attacks, application-layer attacks can be performed using legitimate requests from legitimately connected network machines that make these attacks undetectable by signature-based intrusion detection systems. Moreover, the attacks may utilize protocols that encrypt the data of network connections in the application layer, making it even harder to detect an attacker’s activity without decrypting users’ network traffic, and therefore violating their privacy. In this paper, we present a method that allows us to detect various application-l…
Identifying legitimate Web users and bots with different traffic profiles — an Information Bottleneck approach
2020
Abstract Recent studies reported that about half of Web users nowadays are intelligent agents (Web bots). Many bots are impersonators operating at a very high sophistication level, trying to emulate navigational behaviors of legitimate users (humans). Moreover, bot technology continues to evolve which makes bot detection even harder. To deal with this problem, many advanced methods for differentiating bots from humans have been proposed, a large part of which relies on supervised machine learning techniques. In this paper, we propose a novel approach to identify various profiles of bots and humans which combines feature selection and unsupervised learning of HTTP-level traffic patterns to d…