Results 151 to 160 of about 14,309 (273)

Unconventional water and hydrous mineral formation from dry minerals and H<sub>2</sub> fluids. [PDF]

open access: yesSci Adv
Vitale Brovarone A   +10 more
europepmc   +1 more source

Interaction Analysis using the Cambridge Structural Database – rapid access to intermolecular hydrogen‐bond frequencies and uses for coformer selection

open access: yesActa Crystallographica Section B, EarlyView.
We describe a coformer selection tool that uses knowledge of functional group interactions found in the Cambridge Structural Database to quickly identify complementary molecules to the target.A new methodology to perform virtual coformer screening, utilising data gathered on hydrogen‐bonding interactions present in the organic subset of the Cambridge ...
Joanna S. Stevens   +2 more
wiley   +1 more source

Controls on natural hydrogen generation during serpentinization of mantle rocks. [PDF]

open access: yesNat Commun
Christiansen R   +8 more
europepmc   +1 more source

Mapping structure–property relationships in a 6‐oxo‐verdazyl radical by variable pressure crystallography and density functional theory

open access: yesActa Crystallographica Section B, EarlyView.
For the first time, the structural response to pressure of a verdazyl radical crystal has been studied. Computational modelling revealed changes in electronic and magnetic properties as a result of a structural phase transition.The response of the 1,5‐tolyl‐3‐phenyl‐6‐oxo‐verdazyl radical (pTolOV) to pressure in the crystalline state has been ...
James R. Brookes   +7 more
wiley   +1 more source

From atoms to a data bank: optimizing transferability of electron‐density symmetry

open access: yesActa Crystallographica Section A, EarlyView.
This work focuses on the electron density of atoms modeled with a multipolar approach. We investigate how the refinement of the multipole models with/without symmetry constraints and optimization of the orientation of the local coordinate system and pseudosymmetry assignment improves the accuracy of electron‐density representations for atoms and atom ...
Paulina Maria Rybicka   +3 more
wiley   +1 more source

Soil wetting and drying processes influence stone artefact distribution in clay‐rich soils: A case study from Middle Gidley Island in Murujuga, northwest Western Australia

open access: yesArchaeometry, EarlyView.
Abstract Soils that contain swelling clay minerals (e.g., montmorillonite) expand and contract during wetting and drying, causing movement within the soil profile. This process, known as argilliturbation, can alter artefact distributions, destroy stratigraphy and complicate the interpretation of archaeological deposits.
Caroline Mather   +11 more
wiley   +1 more source

Editorial: Natural hydrogen in different contexts: geological, cosmochemical, and biological

open access: yesFrontiers in Earth Science, 2023
Mahmoud Leila   +4 more
doaj   +1 more source

Response of Remote Tropical West Pacific Islands to Climate Variability: A Multiproxy Record From T‐Lake, Palau, Spanning the Early Holocene to Present

open access: yesArchaeometry, EarlyView.
ABSTRACT Lake sediments are natural archives of past environmental dynamics and how these systems have responded to past climate variability. Sediment geochemistry, governed by local geology and climate processes, is unique to each lake‐catchment and geochemical proxies must be validated for each study site.
Jalene Nalbant   +6 more
wiley   +1 more source

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