Results 121 to 130 of about 16,319 (283)

Advances in Design Strategy and Mechanism Insights for Alkaline Hydrogen Evolution Reaction: Multilevel Site Engineering and Structure–Activity Relationship

open access: yesENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
This review is about material design based on engineering multilevel sites from theoretical calculation and synthetic routes to mechanism, structure–activity relationship, challenges and perspectives for boosting hydrogen production in alkaline electrolyte. Electrolytic water splitting is a clean, carbon‐free method for producing green hydrogen and has
Ke Zhang   +9 more
wiley   +1 more source

Chemoselective Aldehyde and Imine Reduction by a Macrocyclic Triazole–Borane Complex Triggered by a Non‐innocent Proton–Hydride Interaction

open access: yesEuropean Journal of Organic Chemistry, EarlyView.
This work describes the study on a new recyclable reagent, based on a macrocyclic triazole–borane complex. It showed high chemoselectivity for aldehyde reduction and reductive amination over ketones. This selectivity is driven by a noncovalent hydride–proton interaction that stabilizes the transition state for aldehydes but is sterically inhibited in ...
Luca Di Marino   +6 more
wiley   +1 more source

The Influence of the Pretreatment of Tool Steel on the Running‐In Phase of Diamond‐Like Carbon Coatings

open access: yessteel research international, EarlyView.
The influence of tool steel pretreatment on the running‐in behavior of TiNb‐diamond‐like carbon (DLC) coatings is investigated. Ion etching promotes carbide protrusion and increases coating roughness, while post‐deposition polishing reduces surface asperities.
Matěj Buřil   +5 more
wiley   +1 more source

Antimicrobial Residues in a Key Cerrado River: Distribution, Persistence, and Effects on Zebrafish Embryo‐Larval Development

open access: yesEnvironmental Toxicology, EarlyView.
ABSTRACT The current study aimed to quantify the antimicrobials amoxicillin (AMX), cefazolin (CFZ), chloramphenicol (CHL), metronidazole (MTZ), and sulfamethoxazole (SX) in effluents and surface water of an important Cerrado river, calculate their half‐lives, and analyze their ecotoxicity following single and combined exposures.
Náthala Maria Simão   +12 more
wiley   +1 more source

Enhancing Blood–Brain Barrier Integrity in Patients With Acute Ischemic Stroke Via Normobaric Hyperoxia

open access: yesJournal of the American Heart Association: Cardiovascular and Cerebrovascular Disease
BACKGROUND Recent advancements in animal studies have demonstrated the potential of normobaric hyperoxia (NBO) as a promising intervention for preserving the integrity of the blood–brain barrier (BBB). However, there is still limited understanding of the
Weili Li   +8 more
doaj   +1 more source

Natural Bond Orbitals (NBO) visualization

open access: yes, 2009
This is the second post on a series which will try to address common technical questions in computational chemistry that recursively appear on the CCL. The Natural Bond Orbitals analysis is a powerful tool in population analysis calculations which is more robust than the traditional Mulliken approach, if for no better reason because its almost ...
openaire   +1 more source

Complex Chemistry of a Chiral Terpyridine Ligand Based on (1R)‐(+)‐Camphor

open access: yesZeitschrift für anorganische und allgemeine Chemie, EarlyView.
From (1R)‐(+)‐camphor, a chiral terpyridine ligand is accessible in a few steps that coordinates to divalent metal ions of the first and second transition metal row. From structural characterization, the steric repulsion of the two equatorial methyl groups of the tetrahydromethanoquinoline units becomes evident, which causes cyclometalation of the ...
Julia Ehrhard   +2 more
wiley   +1 more source

Superconducting Vacancy-Ordered Rock-Salt NbO Films

open access: yesChemistry of Materials
12 pages, 7 ...
Jeong Rae Kim   +7 more
openaire   +2 more sources

Isolation and Structural Elucidation of the Pnictogen Polysulfate Compounds As2[S2O7]2[S3O10] and [SeCl3][Pn(S2O7)2] (Pn = Sb, Bi)

open access: yesZeitschrift für anorganische und allgemeine Chemie, EarlyView.
The isolation and solid‐state structures of the two disulfate‐containing pnictogenates [SeCl3][Pn(S2O7)2] (Pn = Sb, Bi), as well as the mixed‐anionic As2[S2O7]2[S3O10] are presented. The former two consist of complex ∞1{[Pn(S2O7)1/1t(S2O7)2/2e]‐}$$ {\infty }^{1}\left\{{\left[\mathrm{Pn}{\left({\mathrm{S}}_{2}{\mathrm{O}}_{7}\right)}_{1/1}^{\mathrm{t}}{\
Jan Langwald   +5 more
wiley   +1 more source

Catching Wyckoff’s Phantom: The Peculiar Crystal Structure of Orthorhombic Cs[ICl2]

open access: yesZeitschrift für anorganische und allgemeine Chemie, EarlyView.
Over 100 years after the first crystallographic elucidation, the still elusive orthorhombic modification of Cs[ICl2] could be isolated and structurally elucidated from the reaction of aqueous H[ICl4] with Cs2CO3. The [ICl2]− anion shows an unusually large bond length asymmetry, which shows characteristics of a Cl−∙∙∙I–Cl complex with an extremely ...
Jan Langwald   +2 more
wiley   +1 more source

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