Evaluation of theoretical approaches for describing the interaction of water with linear acenes

The interaction of a water monomer with a series of linear acenes (benzene, anthracene, pentacene, heptacene, and nonacene) is investigated using a wide range of electronic structure methods, including several "dispersion"-corrected density functional theory (DFT) methods, several variants of the random phase approximation (RPA), DFT-based symmetry-adapted perturbation theory with density fitting (DF-DFT-SAPT), MP2, and coupled-cluster methods. The DF-DFT-SAPT calculations are used to monitor the evolution of the electrostatics, exchange-repulsion, induction, and dispersion contributions to the interaction energies with increasing acene size and also provide the benchmark data against which the other methods are assessed.     

Liftable homeomorphisms of rank two finite abelian branched covers

Archiv der Mathematik - We investigate branched regular finite abelian A-covers of the 2-sphere, where every homeomorphism of the base (preserving the branch locus) lifts to a homeomorphism of the...     

Response to “The Mössbauer rotor experiment and the general theory of relativity” by C. Corda

We show that a new attempt by Corda (2016), just like his previous attempt (Corda, 2015) that we had answered before (A.L. Kholmetskii et al., 2015), to reinterpret Mössbauer experiments in a rotating system as a “new, strong and independent proof of the correctness of Einstein’s vision of gravity” is erroneous. In addition, we demonstrate that Corda’s criticism of Yarman–Arik–Kholmetskii gravitation theory (in short YARK), is based on the application of ill-posed logic; thus rendering his claims against YARK as unfounded.     

Silafluorene‐based polymers for electrochromic and polymer solar cell applications

In this study, four novel silafluorene (SiF) and benzotriazole (Btz) bearing conjugated polymers are synthesized. In the context of electrochemical and optical studies, these polymers are promising materials both for electrochromic device (ECD) and polymer solar cell (PSC) applications. All of the polymers are ambipolar (both p‐ and n‐dopable) and multichromic. Electrochemistry experiments indicate that incorporation of selenophene instead of thiophene unit increases the HOMO energy level of the polymers. Power conversion efficiency of the PSCs reached 1.75% for PTBTSiF, 1.55% for PSBSSiF, 2.57% for PBTBTSiF, and 1.82% for PBSBSSiF. The hole mobilities of the polymers are estimated through space charge limited current (SCLC) model. PBTBTSiF has the highest hole mobility as 2.44 × 10^?3 cm² V s^?1. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 1541–1547