Intermolecular interactions of brush-like polymers

Copper Acetylacetonate Intermolecular Interactions with Conjugated Polymers

Hybrid propellants are of great interest in space propulsion for combining desirable characteristics of solid and liquid propulsion technologies: simplicity and operational readiness (from solid) with variable thrust and high performance (from liquid), minimizing the disadvantages associated with each one. However, a hybrid propulsion was always limited to the low rate of burning of its solid f...

Intermolecular Interactions The Ig-Like Domain of Tapasin Influences

Intermolecular adhesion in conducting polymers.

We analyze the interaction of two conducting, charged polymer chains in solution using a minimal model for their electronic degrees of freedom. We show that a crossing of the two chains in which the polymers pass within angstroms of each other leads to a decrease of the electronic energy of the combined system that is significantly larger than the thermal energy and thus promotes interchain agg...

Molecular modeling of intermolecular and intramolecular excluded volume interactions for polymers at interfaces.

A hybrid modeling approach is proposed for inhomogeneous polymer solutions. The method is illustrated for the depletion problem with polymer chains up to N=10(3) segments in semidilute solutions and good solvent conditions. In a three-dimensional volume, a set of freely jointed chains is considered for which the translational degrees of freedom are sampled using a coarse grained Monte Carlo sim...

Perturbation analyses of intermolecular interactions.

Conformational fluctuations of a protein molecule are important to its function, and it is known that environmental molecules, such as water molecules, ions, and ligand molecules, significantly affect the function by changing the conformational fluctuations. However, it is difficult to systematically understand the role of environmental molecules because intermolecular interactions related to t...