The three-dimensional aggregated structural models of two types coals, A and B, were constructed. It is found that the density Tg qualitatively consistent with values obtained experimentally. coals B calculated using model structures are 315°C 328°C, respectively. effect temperature on distribution cohesive energy was quantitatively elucidated models. (CED) coal greater than at temperatures <Tg...

In situ atomic force microscopy reveals the morphology, surface topography, and growth and dissolution characteristics of microscopic single crystals of the low-dimensional organic conductor (tetrathiafulvalene)Br(0.76)' which are grown by electrocrystallization on a highly oriented pyrolytic graphite electrode in an atomic force microscope liquid cell. The growth modes and the distribution and...

Toward understanding intermolecular interactions governing self-association of proteins, the present study investigated a model protein, myoglobin, using a small-angle X-ray scattering technique. It has been known that removal of the heme makes myoglobin aggregation-prone. The interparticle interferences of the holomyoglobin and the apomyoglobin were compared in terms of the structure factor. A...

The Doi kinetic theory for flows of homogeneous, rodlike liquid crystalline polymers (LCPs) is extended to model flows of nonhomogeneous, rodlike LCPs through a nonlocal (long-range) intermolecular potential. The theory features (i) a nonlocal, anisotropic, effective intermolecular potential in an integral form that is consistent with the chemical potential, (ii) short-range elasticity as well ...

In the present work an attempt has been made to study the dynamics of a diatomic molecule N2 water. The proposed model consists of Langevin stochastic differential equation whose solution is obtained through Euler’s method. The proposed work has been concluded by studying the behavior of statistical parameters like variance in position, variance in velocity and covariance between position and v...

To overcome the ensemble-averaging barrier, single-molecule experiments have been performed, but energy landscapes comprising multiple intermediates have not yet been defined. We performed mechanical unfolding of staphylococcal nuclease using intermolecular force microscopy, modified AFM with high resolution and feedback control of the positioning. The force dropped vertically just after its pe...

Five membered carbocycles are important building blocks for many biologically active molecules. Moreover, substituted cyclopentenones (e.g. cyclopentenone prostaglandins) exhibit characteristic biological activity. The efficiency and atom economy of the Pauson-Khand reaction render this process potentially one of the most attractive methods for the synthesis of such compounds. Although it was d...

In this paper, we study the Casimir effect of a scalar field with Dirichlet boundary condition in some certain topologies. By numerical analysis we show that Casimir energy is a shape-dependent quantity. We also obtain the phase transition in different topologies in which the Casimir force changes from attractive to repulsive or vice versa.  eararqr