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111.
Catheline A Vallés C Drummond C Ortolani L Morandi V Marcaccio M Iurlo M Paolucci F Pénicaud A 《Chemical communications (Cambridge, England)》2011,47(19):5470-5472
Thermodynamics drive the spontaneous dissolution of a graphite intercalation compound (GIC) KC(8) in NMP to form stable solutions. Reduction potential of graphene is measured at +22 mV vs. SCE. Single layer graphene flakes (ca. 1 μm(2)) have been unambiguously identified by electron diffraction. 相似文献
112.
Car PE Perfetti M Mannini M Favre A Caneschi A Sessoli R 《Chemical communications (Cambridge, England)》2011,47(13):3751-3753
The square antiprismatic Na[Dy(DOTA)(H(2)O)]·4H(2)O complex was characterised by single crystal X-ray diffraction and ac magnetic susceptometry. Two competing mechanisms for magnetic relaxation as well as the remarkable increase of six orders of magnitude in the relaxation time upon application of a static magnetic field were detected. 相似文献
113.
Bonfanti M Casolo S Tantardini GF Martinazzo R 《Physical chemistry chemical physics : PCCP》2011,13(37):16680-16688
The exothermic, collinearly-dominated Eley-Rideal hydrogen formation on graphite is studied with electronic structure and quantum dynamical means. In particular, the focus is on the importance of the model used to describe the graphitic substrate, in light of the marked discrepancies present in available literature results. To this end, the collinear reaction is considered and the potential energy surface is computed for a number of different graphitic surface models using Density Functional Theory (DFT) for different dynamical regimes. Quantum dynamics is performed with wavepacket techniques down to the cold collision energies relevant for the chemistry of the interstellar medium. Results show that the reactivity at moderate-to-high collision energies sensitively depends on the shape of the PES in the entrance channel, which in turn is related to the adopted surface model. At low energies we rule out the presence of any barrier to reaction, thereby highlighting the importance of quantum reflection in limiting the reaction efficiency. 相似文献
114.
This communication describes a simple, rapid and cost effective method of embedding a conductive and flexible material within microfluidic devices as a means to realize uniform electric fields within cellular microenvironments. Fluidic channels and electrodes are fabricated by traditional soft-lithography in conjunction with chemical etching of PDMS. Devices can be deformable (thus allowing for a combination of electro-mechanical stimulation), they are made from inexpensive materials and easily assembled by hand; this method is thus accessible to a wide range of laboratories and budgets. 相似文献
115.
116.
We consider Maxwell’s equations with periodic coefficients as it is usually done for the modeling of photonic crystals. Using Bloch/Floquet theory, the problem reduces in a standard way to a modification of the Maxwell cavity eigenproblem with periodic boundary conditions. Following [8], a modification of edge finite elements is considered for the approximation of the band gap. The method can be used with meshes of tetrahedrons or parallelepipeds. A rigorous analysis of convergence is presented, together with some preliminary numerical results in 2D, which fully confirm the robustness of the method. The analysis uses well established results on the discrete compactness for edge elements, together with new sharper interpolation estimates. 相似文献
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119.
Pierre Bonami Gérard Cornuéjols Sanjeeb Dash Matteo Fischetti Andrea Lodi 《Mathematical Programming》2008,113(2):241-257
Recent experiments by Fischetti and Lodi show that the first Chvátal closure of a pure integer linear program (ILP) often
gives a surprisingly tight approximation of the integer hull. They optimize over the first Chvátal closure by modeling the
Chvátal–Gomory (CG) separation problem as a mixed integer linear program (MILP) which is then solved by a general- purpose
MILP solver. Unfortunately, this approach does not extend immediately to the Gomory mixed integer (GMI) closure of an MILP,
since the GMI separation problem involves the solution of a nonlinear mixed integer program or a parametric MILP. In this
paper we introduce a projected version of the CG cuts, and study their practical effectiveness for MILP problems. The idea
is to project first the linear programming relaxation of the MILP at hand onto the space of the integer variables, and then
to derive Chvátal–Gomory cuts for the projected polyhedron. Though theoretically dominated by GMI cuts, projected CG cuts
have the advantage of producing a separation model very similar to the one introduced by Fischetti and Lodi, which can typically
be solved in a reasonable amount of computing time.
Gérard Cornuéjols was supported in part by NSF grant DMI-0352885, ONR grant N00014-03-1-0188, and ANR grant BLAN 06-1-138894.
Matteo Fischetti was supported in part by the EU projects ADONET (contract n. MRTN-CT-2003-504438) and ARRIVAL (contract n.
FP6-021235-2). Andrea Lodi was supported in part by the EU projects ADONET (contract n. MRTN-CT-2003-504438) and ARRIVAL (contract
n. FP6-021235-2). 相似文献
120.
In this paper, new lower bounds for the asymmetric travelling salesman problem are presented, based on spanning arborescences. The new bounds are combined in an additive procedure whose theoretical performance is compared with that of the Balas and Christofides procedure (1981). Both procedures have been imbedded in a simple branch and bound algorithm and experimentally evaluated on hard test problems. 相似文献