This paper clarifies why long-range corrected (LC) density functional theory gives orbital energies quantitatively. First, the highest occupied molecular orbital and the lowest unoccupied molecular orbital energies of typical molecules are compared with the minus vertical ionization potentials (IPs) and electron affinities (EAs), respectively. Consequently, only LC exchange functionals are found to give the orbital energies close to the minus IPs and EAs, while other functionals considerably underestimate them. The reproducibility of orbital energies is hardly affected by the difference in the short-range part of LC functionals. Fractional occupation calculations are then carried out to clarify the reason for the accurate orbital energies of LC functionals. As a result, only LC functionals are found to keep the orbital energies almost constant for fractional occupied orbitals. The direct orbital energy dependence on the fractional occupation is expressed by the exchange self-interaction (SI) energy through the potential derivative of the exchange functional plus the Coulomb SI energy. On the basis of this, the exchange SI energies through the potential derivatives are compared with the minus Coulomb SI energy. Consequently, these are revealed to be cancelled out only by LC functionals except for H, He, and Ne atoms.

Through litter decomposition enormous amounts of carbon is emitted to the atmosphere. Numerous large-scale decomposition experiments have been conducted focusing on this fundamental soil process in order to understand the controls on the terrestrial carbon transfer to the atmosphere. However, previous studies were mostly based on site-specific litter and methodologies, adding major uncertainty to syntheses, comparisons and meta-analyses across different experiments and sites. In the TeaComposition initiative, the potential litter decomposition is investigated by using standardized substrates (Rooibos and Green tea) for comparison of litter mass loss at 336 sites (ranging from -9 to +26 °C MAT and from 60 to 3113 mm MAP) across different ecosystems. In this study we tested the effect of climate (temperature and moisture), litter type and land-use on early stage decomposition (3 months) across nine biomes. We show that litter quality was the predominant controlling factor in early stage litter decomposition, which explained about 65% of the variability in litter decomposition at a global scale. The effect of climate, on the other hand, was not litter specific and explained <0.5% of the variation for Green tea and 5% for Rooibos tea, and was of significance only under unfavorable decomposition conditions (i.e. xeric versus mesic environments). When the data were aggregated at the biome scale, climate played a significant role on decomposition of both litter types (explaining 64% of the variation for Green tea and 72% for Rooibos tea). No significant effect of land-use on early stage litter decomposition was noted within the temperate biome. Our results indicate that multiple drivers are affecting early stage litter mass loss with litter quality being dominant. In order to be able to quantify the relative importance of the different drivers over time, long-term studies combined with experimental trials are needed.

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Kcywortls Oil palmGlacis ftnneenxis Jaxq Binderless board Self-binding mechanism BjOrkman lignin Wall polysaccharidcs Pyrolysis-gaschromatogruphy-niuss spcciromctry L t-NMR Ή-ΝΜΚ ITIR Alditol acetate Uronic acid Furfural derivatives SummaryOil palm (Elaeis xtiinccHsix Jacq.) is one of the most abundant, unutilised waste biomass from plantation in South-East Asia. The binder I ess boards were prepared from steam-exploded pulps of oil palm fronds und characterised for the mechanical strengths and chemical natures to discuss mechanism of self-binding. The mechanical strength of these boards satisfied the requirements of the relevant standard specifications (J1S: Japanese Industrial Standards) for the boards, To make clear the mechanism of the self-bonding of these bindcrlcss hoards, oil palm fronds themselves, their steam exploded pulps, boards and lignins isolated by Bj rkman's procedure from extract-free oil palm fronds and steam exploded pulps, were analysed by chemical and spectrometrical methods and pyrolysis-gaschromatography/mass spcctromctry. Lignin of oil palm frond was characterised by the presence of significant amounts of esierified /?-hydroxyben/oic acid together with small amounts of cthcrified /;-hydroxyben/oie acid, Vanillic and syringic acids were esterified or ethcrified to lignin. Some extents of these ester bonds and -O-4 interunit linkages of lignin were cleaved during steam explosion, in addition to great condensation of guaiacyl nuclei, as revealed by Ή-and L t-NMR spectra of isolated lignins from the steam exploded pulps, of which yields were quite high, suggesting that lignin has been released from other wall polymers. Wall polysaccharides of oil palm frond are composed of cellulose and significantly high concentration of urabinoxylan. which produced great abundance of 5-hydroxymethyl-furlural and furfural during steam explosion, respectively, and even hot pressing at I25°C to prepare binderless boards. It is suggested that released lignin and furfural derivatives generated during steam explosion contribute to self-binding of the steam exploded pulps. However, severe conditions of steam explosion caused great damages in lignin macromolecules, and gave poor quality of binderless boards.

This is the first study to detect local size hierarchies as a prelude to regular spacing using the mark correlation function. The results confirm that use of the mark correlation function together with the spatial autocorrelation function is an effective tool to analyse the development of a local size hierarchy of trees in a forest.