The nematic phase transition in electronic liquids, driven by Coulomb interactions, represents a new class of strongly correlated electronic ground states. We studied suspended samples of bilayer graphene, annealed so that it achieves very high quasiparticle mobilities (greater than 10(6) square centimers per volt-second). Bilayer graphene is a truly two-dimensional material with complex chiral...

Introduction 2 1. Symmetric spectra 5 1.1. Simplicial sets 5 1.2. Symmetric spectra 6 1.3. Simplicial structure on Sp 8 1.4. Symmetric Ω-spectra 10 2. The smash product of symmetric spectra 11 2.1. Symmetric sequences 11 2.2. Symmetric spectra 14 2.3. The ordinary category of spectra 18 3. Stable homotopy theory of symmetric spectra 19 3.1. Stable equivalence 20 3.2. Model categories 26 3.3. Le...

Weakly bound metal ion complexes are produced in molecular beams and studied with mass-selected laser photodissociation spectroscopy. The metal ions Mg+ and Ca+ are the focus of these studies because they have a single valence electron and strong atomic resonance lines in convenient wavelength regions. Weakly bound complexes of these ions with rare-gas atoms and small molecules are prepared wit...

When Ni2+ is surrounded by a ligand field due to cyanide ligands, a square planar geometry results. However, when Ni2+ forms a complex with chloride a tetrahedral geometry results. To determine the cause of this difference, hybrization, bonding, the molecular orbital picture, and symmetry will be considered using several techniques. Because the spacings between energy levels depend on factors s...

The electronic structure of the three representative isomers of the ionized uracil dimers is characterized by high-level electronic structure calculations. Noncovalent interactions between the fragments lower the vertical ionization energies by 0.13-0.35 eV, the largest drop being observed for the stacked and the T-shaped isomers. The initial hole is delocalized in the stacked and the H-bonded ...

We recently showed that the dephasing representation (DR) provides an efficient tool for computing ultrafast electronic spectra and that further acceleration is possible with cellularization [M. Šulc and J. Vaníček, Mol. Phys. 110, 945 (2012)]. Here, we focus on increasing the accuracy of this approximation by first implementing an exact Gaussian basis method, which benefits from the accuracy o...

We obtained the electronic spectra of various methylated xanthine compounds including caffeine in a supersonic jet by resonant two-photon ionization spectroscopy. The methyl group in the tested methylated xanthine compounds has a distinct, site-dependent effect on the electronic spectrum. Methylation at the N3 position causes a significant red shift of the ππ* state, whereas methylation at the ...

This paper is devoted to the development and application of an effective computational approach for the prediction of band broadening in the electronic spectra of semi-flexible organic molecules in solution. The protocol is based on DFT, TD-DFT, and PCM computational techniques and attempts to take into account the three main contributions tuning electronic spectra, namely vibronic transitions,...

The particle-in-a-box model was used to analyze the conjugated bonds and π electrons of several cyanine dyes. Analysis by UV-Vis spectrophotometry led to calculation of λmax values for each dye, and values were compared to electronic spectra generated with the HyperChem program. The effective box length, a, was determined for six cyanine dyes and compared to the expected geometric box length, a...

Astaxanthin (AXT) is a natural carotenoid which provides colorations to numerous living species such as salmon. Owing to its chelate function deprotonated astaxanthin (axt−) should be easily attached to metal ions. The complex Rh(phpy)2(axt) with phpy− = deprotonated 2-phenylpyridine was prepared, and its electronic spectra and photochemistry were examined and compared to that of free AXT. Alth...