Electrospinning is an important, widely used process to generate nanofibers. However, there is still an open window for different designs of both spinneret and collector electrodes to be investigated. This paper introduces the impact of new design of conical spinneret electrode on the generated electrospun nanofibers. In this work, the conical feeder is used to generate electrospun Poly(vinyl a...

We present a method for analyzing the curvature (second derivatives) of the conical intersection hyperline at an optimized critical point. Our method uses the projected Hessians of the degenerate states after elimination of the two branching space coordinates, and is equivalent to a frequency calculation on a single Born-Oppenheimer potential-energy surface. Based on the projected Hessians, we ...

The conical nanostructure improves the applications of alumina membranes and provides three dimensional nanometer scale systems to study the chemical and physical properties. In this study, the nano cone structure is produced in porous anodic alumina (PAA) by two-step anodizing. This conical nanostructure will improve the application of PAA membranes. This approach is novel generation of t...

Looking into temporal dynamics of the reactive flux that is precisely located at the well-characterized conical intersection has been one of chemists' longstanding goals. We report here real-time nonadiabatic bifurcation dynamics in the S-CH3 bond predissociation of thioanisole (C6H5SCH3) in the first electronically excited state (S1). It is found that two distinct adiabatic and nonadiabatic re...

Heterolytic bond scission is a staple of chemical reactions. While qualitative and quantitative models exist for understanding the thermal heterolysis of carbon-leaving group (C-LG) bonds, no general models connect structure to reactivity for heterolysis in the excited state. CASSCF conical intersection searches were performed to investigate representative systems that undergo photoheterolysis ...

Conical intersection seam comprised of crossing surfaces of two lowest excited states of dimethyl sulfide (DMS) has been directly accessed by the one-photon excitation from the ground equilibrium state. Since the S-C bond rupture takes place promptly, the molecular structure on the excited state effectively belongs to C(S) symmetry. Namely, excited states of 1(1)B1 and 1(1)A2 in C(2)V become 1(...

We describe observations of various transverse instabilities that occur when two laser beams intersect in nonlinear optical liquids. Patterns that we observe include two types of conical emission and the generation of a linear array of spots. These results can be understood in terms of the physical processes of self-diffraction, two-beam-excited conical emission, and seeded modulational instabi...

A “dry” conical soap film on a cubical frame is not stable. Recent experimental evidence seems to indicate that adding liquid to form Plateau borders stabilizes the conical film, perhaps to arbitrarily low liquid fractions. This paper presents numerical simulation evidence that the the wet cone is unstable for low enough liquid fraction, with the critical liquid fraction being about 0.000278.

The photoinduced hydrogen-elimination reaction in pyrrole via the conical intersections of the two 1 * excited states with the electronic ground states B1 * -S0 and A2 * -S0 have been investigated by time-dependent quantum wave-packet calculations. Model potential-energy surfaces of reduced dimensionality have been constructed on the basis of accurate multireference ab initio electronic-structu...