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The importance of mineral determinations to PROFILE base cation weathering release rates : A case study

Accurate estimates of base cation weathering rates in forest soils are crucial for policy decisions on sustainable biomass harvest levels and for calculations of critical loads of acidity. The PROFILE model is one of the most frequently used methods to quantify weathering rates, where the quantitative mineralogical input has often been calculated by the A2M ("Analysis to Mineralogy") program base

Wnt5a is a TLR2/4-ligand that induces tolerance in human myeloid cells

Innate immune responses are rapid, dynamic and highly regulated to avoid overt reactions. This regulation is executed by innate immune tolerance mechanisms that remain obscure. Wnt5a is a signalling protein mainly involved in developmental processes and cancer. The effect of Wnt5a on inflammatory myeloid cells is controversial. Here, we combine primary cell cultures, in vitro binding studies, mass

Multiconfigurational Study of the Electronic Structure of Negatively Charged Fullerens

Multiconfigurational second order perturbation theory was employed in order to describe the ground and excited states of C_60^(-n). Different choices of the active spaces are discussed and the possibility to apply multiconfigurational theory to study C_120 is investigated. The calculations were performed for all possible spin states (for selected charge) and show the preference of low spin state.

Individually addressable double quantum dots formed with nanowire polytypes and identified by epitaxial markers

Double quantum dots (DQDs) hold great promise as building blocks for quantum technology as they allow for two electronic states to coherently couple. Defining QDs with materials rather than using electrostatic gating allows for QDs with a hard-wall confinement potential and more robust charge and spin states. An unresolved problem is how to individually address these QDs, which is necessary for co

Hard diffraction in photoproduction with Pythia 8

We present a new framework for modeling hard diffractive events in photoproduction, implemented in the general purpose event generator Pythia 8. The model is an extension of the model for hard diffraction with dynamical gap survival in p p and p p ¯ collisions proposed in 2015, now also allowing for other beam types. It thus relies on several existing ideas: the Ingelman–Schlein approach, the fra

Multiconfigurational Quantum Chemistry

The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry,

Local characteristics of the electronic structure of molecular systems predicted by the unrestricted Hartree-Fock method

The formalism underlying the calculations of local characteristics of the electronic structure of molecules and crystals by ab initio quantum-chemical methods was considered. Formulas for the bond order and the covalence and full valence of atoms in molecules and crystals were derived within the framework of the restricted and unrestricted Hartree-Fock methods. The correctness of the proposed appr