Related papers: Fission of charged alanine dipeptides
The large body of experimental data on nuclear fission is analyzed with a semi-empirical ordering scheme based on the macro-microscopic approach and the separability of compound-nucleus and fragment properties on the fission path. We apply…
The folding of a polypeptide is an example of the cooperative effects of the amino-acid residues. Of recent interest is how a secondary structure, such as a helix, spontaneously forms during the collapse of a peptide from an initial…
Collisions between complex nuclei may give rise to their total or partial fusion. The latter case is found experimentally to gain importance when one of the colliding nuclei is weakly bound. It has been commonly assumed that the partial…
Understanding the mechanisms underlying crystal formation is crucial. For most systems, crystallization typically goes through a nucleation process that involves dynamics that happen at short time and length scales. Due to this, molecular…
The charge and proton dynamics in hydrogen-bonded networks are investigated using ammonia as a model system. The fragmentation dynamics of medium-sized clusters (1-2 nm) upon single photon multi-ionization is studied, by analyzing the…
The formal theory of breakup reactions is reviewed. The direct breakup mechanism which is formulated within the framework of the post form distorted wave Born approximation is discussed in detail. In this theory, which requires the…
We study the kinetics of nonlinear irreversible fragmentation. Here fragmentation is induced by interactions/collisions between pairs of particles, and modelled by general classes of interaction kernels, and for several types of breakage…
A new formalism for calculation of the partition function of single stranded nucleic acids is presented. Secondary structures and the topology of structure elements are the level of resolution that is used. The folding model deals with…
Experimental studies of fission induced in relativistic nuclear collisions show a systematic enhancement of the excitation energy of the primary fragments by a factor of ~ 2, before their decay by fission and other secondary fragments.…
We discuss the interplay between a slow continuous drift of temperature, which induces continuous phase separation, and the non-linear diffusion term in the $\phi^4$-model for phase separation of a binary mixture. This leads to a bound for…
We investigate the dissociation and ionization equilibria of deuterium fluid over a wide range of temperatures and densities. The partition functions for molecular and atomic species are evaluated, in a statistical-mechanically consistent…
The transformation of an atomic nucleus into two excited fission fragments is modeled as a strongly damped evolution of the nuclear shape, until scission occurs at a small critical neck radius, at which point the mass, charge, and shape of…
An ab initio simulation of strong-field photodissociation of diatomic molecules was developed, inspired by recent dissociation experiments of F2-. The transition between electronic states was modeled, including the laser pulse and…
Biological adhesion often involves several pairs of specific receptor-ligand molecules. Using rate equations, we study theoretically the rupture of such multiple parallel bonds under dynamic loading assisted by thermal activation. For a…
Building on our earlier study, we examine the kinetic barriers to decomposition of alane, AlH$_3$, on the Si(001) surface, using the nudged elastic band (NEB) approach within DFT. We find that the initial decomposition to AlH with two H…
Large parallel gains in the development of both computational resources as well as sampling methods have now made it possible to simulate dissociation events in ligand-protein complexes with all--atom resolution. Such encouraging progress,…
We study the role of quantum fluctuations of atomic nuclei in the real-time dynamics of non-equilibrium macro-molecular transitions. To this goal we introduce an extension of the Dominant Reaction Pathways (DRP) formalism, in which the…
The study of interactions between biomimetic membranes and micron-sized particles is crucial for understanding various biological processes. Here, we control microparticle spontaneous engulfment by giant lipid vesicles by tuning particle…
The multiphoton ionization of the simplest aromatic amine, aniline, was examined utilizing a kinetic energy-correlated time-of-flight mass spectrometer at a wavelength of 266 nm. The primary and secondary fragment channels have been…
In this paper we suggest a theoretical method based on the statistical mechanics for treating the alpha-helix-random coil transition in alanine polypeptides. We consider this process as a first-order phase transition and develop a theory…