The theory presented enables calculating the cohesive energy and line energy (the work of formation of the unit border line length) of graphene from the first-principles data, which also yields estimate of the line tension of graphene at zero temperature. Contributions from chemical bonds and dispersion forces have been estimated separately to give a summary value of 16.7 × 10(-10) J m(-1) for ...

Decandrinin (1), an unprecedented C9-spiro-fused 7,8-seco-ent-abietane, was obtained from the bark of an Indian mangrove, Ceriops decandra, collected in the estuary of Godavari, Andhra Pradesh. The constitution and the relative configuration of 1 were determined by HRMS (ESI) and extensive NMR investigations, and the absolute configuration by circular dichroism (CD) and optical-rotatory dispers...

INTRODUCTION Groundwater plays an important part in many regolith processes (chemical weathering, solute dispersion, etc.), but collecting groundwater data usually requires drilling that can be: a) expensive analyses for porosity, permeability, etc in addition to drilling costs; b) problematic rig availability and access to remote sites; c) under-sampled entire groundwater regimes characterised...

A theory of nuclear magnetic resonance (NMR) in graphene is presented. The canonical form of the electron-nucleus hyperfine interaction is strongly modified by the linear electronic dispersion. The NMR shift and spin-lattice relaxation time are calculated as a function of temperature, chemical potential, and magnetic field, and three distinct regimes are identified: Fermi-, Dirac-gas, and extre...

Clay as a dispersion agent in anode catalyst layer for PEMFC Yi-Hao Pai a, Jyh-Harng Ke b, Chih-Cheng Chou c, Jiang-Jen Lin d, Jyh-Myng Zen b,∗, Fuh-Sheng Shieu a,∗ a Department of Materials Engineering, National Chung Hsing University, Taichung 40227, Taiwan b Department of Chemistry, National Chung Hsing University, Taichung 40227, Taiwan c Department of Chemical Engineering, National Chung H...

Terrorist attack in buildings by chemical and biological agents (CBAs) is a reality in our lives. This study applies computational fluid dynamics (CFD) to predict CBA dispersion in an office building in order to find the best locations for CBA sensors and to develop effective ventilation systems to protect building occupants in case of indoor CBA releases. It is found that the CFD is a useful t...

The evolution of Ca2-xNaxCuO2Cl2 from Mott insulator to superconductor was studied using angle-resolved photoemission spectroscopy. By measuring both the excitations near the Fermi energy as well as nonbonding states, we tracked the doping dependence of the electronic structure and the chemical potential with unprecedented precision. Our work reveals failures in the standard weakly interacting ...

[1] Anelasticity and diffusion creep viscosity of partially molten rock analogue were measured experimentally at various melt fractions (0.0025–0.04). The presence of even a small quantity of melt phase causes a significant increase in attenuation and dispersion, and decrease in viscosity (melt effect). Similar changes are additionally caused by the presence of a secondary solid component (chem...

Part 2 reviews the materials properties of photonic materials, such as structure (chemical bonds) and electrical conductivity (bands) in Group IV and III-V compound/alloy semiconductors. The correlation of the principal quantum number with optical, thermal and mechanical properties is examined. The definition of effective mass qualifies the energy-wavenumber dispersion relation for direct or in...

The experimental vibrational circular dichroism, electronic circular dichroism, and optical rotatory dispersion spectra and corresponding quantum chemical predictions of 3,3'-diphenyl-[2,2'-binaphthalene]-1,1'-diol (VANOL) are used to confirm its absolute configuration as (+)(589)-(aR) or (-)(589)-(aS). A discrepancy in the literature crystal structure has been resolved by determining the X-ray...