We reprove the well-known fact that energy distance defines a metric on space of Borel probability measures Hilbert with finite first moment by new approach, analyzing behavior Gaussian kernel spaces and maximum mean discrepancy analysis. From this point view, we are able to generalize family kernels related Bernstein functions conditionally negative definite kernels. also explain what occurs $...

Binding energies, potential energy curves, and equilibrium intermonomer distances describing the interaction between benzene and a series of first- and second-row hydrides and rare gas atoms are calculated using coupled-cluster theory with single, double, and perturbative triple excitations (CCSD(T)) in conjunction with a large augmented quadruple-zeta basis set (aug-cc-pVQZ). These benchmark r...

Single-molecule (sm) fluorescence detection is a powerful method for studying biological events without time and population averaging. Förster (fluorescence) resonance energy transfer (FRET) is a spectroscopic technique for measuring distances in the 30-80 Å range in which excitation energy of a donor molecule is transferred to an acceptor via interaction between two induced dipoles. A variant ...

We compare dispersion and induction interactions for noble gas dimers and for Ne, methane, and 2-butyne with HF and LiF using a variety of functionals (including some specifically parameterized to evaluate dispersion interactions) with ab initio methods including CCSD(T) and MP2. We see that inductive interactions tend to enhance dispersion and may be accompanied by charge-transfer. We show tha...

We describe a simple approach and present a straightforward numerical algorithm to compute the best fit shot-noise limited proximity ratio histogram (PRH) in single-molecule fluorescence resonant energy transfer diffusion experiments. The key ingredient is the use of the experimental burst size distribution, as obtained after burst search through the photon data streams. We show how the use of ...

This is our second type of model for protein folding where the configurational parameters and the effective potential energy function are chosen in such a way that all conformations are described and the canonical partition function can be evaluated analytically. Structure is described in terms of distances between pairs of sequentially contiguous blocks of eight residues, and all possible conf...

The properties of molecular aggregates, coupled clusters of small molecules, are often challenging to unravel because of their inherent complexity and disordered environments. Their structure-function relationships are often far from obvious. However, their ability to efficiently channel excitation energy over remarkable distances, as is the case in photosynthetic light harvesting, is a compell...

this work is conducted to obtain mechanical properties of microtubule. for this aim, interaction energy in alpha-beta, beta-alpha, alpha-alpha, and beta-beta dimers was calculated using the molecular dynamic simulation. force-distance diagrams for these dimers were obtained using the relation between potential energy and force. afterwards, instead of each tubulin, one sphere with 55 kda weight ...

in this paper, an algorithm , based on genetics and auxiliary nodes, to reduce energy consumption in wireless sensor networks has been presented. in this research, by considering some parameters as energy and distance, a target function has been created, which is more optimum comparing to other methods. in this research cluster head is selected by genetic algorithm. in rawsn algorithm a new tec...

Energy equation for turbulent flow in a rotating system was derived in terms of second order correlation tensors, where the correlation tensors were functions of space coordinates, distance between two points and time. To reveal the relationship of turbulent energy between two points, one point was taken as origin of the coordinate system. Due to rotation, the Coriolis force played an important...