Related papers: What the difference between Thymine and Uracil?
This account presents author's opinion on the mechanism of the H-abstraction from methane by the [FeO](2+) group. In the course of reaction with hydrogen, the Fe-O bond in the ferryl configuration becomes elongated causing transfer of the…
Present data on neutrino masses and mixing favor the highly symmetric tribimaximal neutrino mixing matrix which suggests an underlying flavor symmetry. A systematic study of non-abelian finite groups of order $g \leq 31$ reveals that…
The design of vesicles which become unstable at an easily tuned value of pH is of great interest for targeted drug delivery. We present a microscopic theory for two forms of such vesicles. A model of lipids introduced by us previously is…
Tautomers are ubiquitous throughout chemistry, and typically considered inseparable in solution. Yet (bio)chemical activity is highly tautomer specific, with common examples being the amino and nucleic acids. While tautomers exist in an…
The composition dependence of the structural transition between the monoclinic 1T$^{\prime}$ and orthorhombic T$_{d}$ phases in the Mo$_{1-x}$W$_{x}$Te$_{2}$ Weyl semimetal was investigated by elastic neutron scattering on single crystals…
There have been assertions in the literature that the variational and unitary forms of coupled cluster theory lead to the same energy functional. Numerical evidence from previous authors was inconsistent with this claim, yet the small…
U-based binary alloys have been widely adopted in fast nuclear reactors, but their stability under extreme conditions of high-pressure is almost unknown, mounting up to latent risk in applications. Here, possible ordered phases in U-Zr…
We define and study a correspondence between the set of distinguished G^0-conjugacy classes in a fixed connected component of a reductive group G (with G^0 almost simple) and the set of (twisted) elliptic conjugacy classes in the Weyl…
We consider theories with gauged chiral fermions in which there are abelian anomalies, and no nonabelian anomalies (but there may be nonabelian gauge fields present). We construct an associated theory that is gauge invariant,…
The results of a comprehensive and systematic ab-initio based ground-state search for the structural arrangement of oxygen vacancies in rutile phase TiO$_2$ provide new insights into their memristive properties. We find that O vacancies…
For a dimer with a non-degenerate orbital built from atomic wave functions of Gaussian shape we evaluate all the electron-phonon couplings derived from the one-body and two-body electronic interactions, considering both the adiabatic and…
We compare the Euler-Poincar\'e characteristic to the global Euler obstruction, in case of singular affine varieties, and point out a certain duality among their expressions in terms of strata of a Whitney stratification.
Hybrid QM(DFT)/MM molecular dynamics simulations have been carried out for the Watson-Crick base pair of 9-ethyl-8-phenyladenine and 1-cyclohexyluracil in deuterochloroform solution at room temperature. Trajectories are analyzed putting…
Deligne cohomology can be viewed as a differential refinement of integral cohomology, hence captures both topological and geometric information. On the other hand, it can be viewed as the simplest nontrivial version of a differential…
Twinning in crystalline materials plays an important role in many transformation and deformation processes, where underlying mechanisms can be strongly influenced by the structural, energetic and kinetic properties of associated twin…
We summarize some characteristic features of the frustrated magnetic interactions in spin-orbital models adequate for cubic transition metal oxides with orbital degeneracy. A generic tendency towards dimerization, found already in the…
Due to their topological charge, or chirality, the Weyl cones present in topological semimetals are considered robust against arbitrary perturbations. One well-understood exception to this robustness is the pairwise creation or annihilation…
The inner mitochondrial membrane has been shown to have a novel structure that contains tubular components whose radii are on the order of 10 nm as well as comparatively flat regions. The structural organization of mitochondria is important…
Twinkling Artifact is a valuable tool in detecting dense objects such as kidney stones, calculi etc., especially when there is no acoustic shadowing and presence of hyperechogenic tissues obstructs visualization. This phenomenon is not…
A group-theoretical connection between horizontal symmetry $\G$ and fermion mixing is established, and applied to neutrino mixing. The group-theoretical approach is consistent with a dynamical theory based on $U(1)\times \G$, but the…