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Bounded-type 3-manifolds arise as combinatorially bounded gluings of irreducible 3-manifolds chosen from a finite list. We prove effective hyperbolization and effective rigidity for a broad class of 3-manifolds of bounded type and large…
Organic semiconductors have enough molecular versatility to feature chemo-specific electrical sensitivity to large families of chemical substituents via different intermolecular bonding modes. This study demonstrates that one single…
This article deals with 3-forms on 6-dimensional manifodls, the first dimension where the classification of 3-forms is not trivial. There are three classes of multisymplectic 3-forms there. We study the class which is closely related to…
We present a study on buckling of colloidal particles, including experimental, theoretical and numerical developments. Oil-filled thin shells prepared by emulsion templating show buckling in mixtures of water and ethanol, due to dissolution…
Multivalency is a common biological mechanism of formation of strong reversible and selective bonds by grouping weak bonds. Polymers often act as a scaffold to which multiple binding groups are attached. Here I present an analytical theory…
A geometrical model which captures the main ingredients governing atom-diatom collinear chemical reactions is proposed. This model is neither near-integrable nor hyperbolic, yet it is amenable to analysis using a combination of the recently…
The creation of ultracold molecules is currently limited to diatomic species. In this letter we present a theoretical description of the photoassociation of ultracold atoms and molecules to create ultracold excited triatomic molecules, thus…
We discuss the computation of the third virial coefficient in polymer systems, focusing on an additional contribution absent in the case of monoatomic fluids. We determine the interpenetration ratio and several quantities that involve the…
Two constructions due to Dr\'apal produce a group by modifying exactly one quarter of the Cayley table of another group. We present these constructions in a compact way, and generalize them to Moufang loops, using loop extensions. Both…
We provide elementary identities relating the three known types of non-symmetric interpolation Macdonald polynomials. In addition we derive a duality for non-symmetric interpolation Macdonald polynomials. We consider some applications of…
We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…
We obtain analytical expressions for an effective potential of interaction between two- and three-dimensional (2D and 3D) solitons (including the case of 2D vortex solitons) belonging to two different modes which are incoherently coupled by…
We present a computational scheme for predicting the ligands that bind to a pocket of known structure. It is based on the generation of a general abstract representation of the molecules, which is invariant to rotations, translations and…
We give examples of non-fibered hyperbolic knot complements in homology spheres that are not commensurable to fibered knot complements in homology spheres. In fact, we give many examples of knot complements in homology spheres with the…
The detection of a branched alkyl molecule in the high-mass star forming protocluster Sgr B2(N) permitted by the advent of ALMA revealed a new dimension of interstellar chemistry. Astrochemical simulations subsequently predicted that beyond…
Metastable structures in macromolecular and colloidal systems are non-equilibrium states that often have long lifetimes and cause difficulties in simulating equilibrium. In order to escape from the long-lived metastable states, we propose a…
Entropy alone can self-assemble hard particles into colloidal crystals of remarkable complexity whose structures are the same as atomic and molecular crystals, but with larger lattice spacings. Although particle-based molecular simulation…
Structure and function in nanoscale atomistic assemblies are tightly coupled, and every atom with its specific position and even every electron will have a decisive effect on the electronic structure, and hence, on the molecular properties.…
With respect to earlier investigations, the theory of multi-component, concentric, copolar, axisymmetric, rigidly rotating polytropes is improved and extended, including subsystems with nonzero density on the boundary and subsystems with…
Isomorphs are curves in the thermodynamic phase diagram of invariant excess entropy, structure, and dynamics, while pseudoisomorphs are curves of invariant structure and dynamics, but not of the excess entropy. The latter curves have been…