Intermolecular interactions inN-(ferrocenylmethyl)anthracene-9-carboxamide

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...

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...

Computation of Electronic and Intermolecular Interactions

Crystallization-induced diastereomer transformation of 2-quinolone-4-carboxamide followed by stereoselective intermolecular photocycloaddition reaction.

2-Quinolone-4-carboxamide derived from (S)-proline, which exists as a mixture of two diastereomers before crystallization, converged to a single diastereomer by crystallization (CIDT), and the homochirality was transferred by a intermolecular 2 + 2 photocycloaddition reaction with high optical activity.

Bifurcation and Chaos in Size-Dependent NEMS Considering Surface Energy Effect and Intermolecular Interactions

The impetus of this study is to investigate the chaotic behavior of a size-dependent nano-beam with double-sided electrostatic actuation, incorporating surface energy effect and intermolecular interactions. The geometrically nonlinear beam model is based on Euler-Bernoulli beam assumption. The influence of the small-scale and the surface energy effect are modeled by implementing the consistent ...