Results 261 to 270 of about 119,767 (324)

Workflow for Harmonic IR and Raman Spectra of Embedded Systems: The PE-QM Approach. [PDF]

open access: yesJ Phys Chem A
Vester J   +4 more
europepmc   +1 more source

Synthesis of a Functionalized Bicyclo[3.2.1]Octane: A Common Subunit to Kauranes, Grayananes, and Gibberellanes

open access: yesChemistry – A European Journal, EarlyView.
A detailed account on the synthesis of a bicyclo[3.2.1]octane scaffold, common to the kaurane, grayanane, and gibberellane diterpenoid families, is reported. Our original strategy relying on a 1,4‐sila‐Prins cyclization proved unsuccessful. Learning from that, we designed an alternative strategy relying on ring‐closing metathesis (RCM), which ...
Nicolas Fay   +3 more
wiley   +1 more source

Synthesis of Cyclobutane‐Containing Tricyclic β‐Lactams Based on a Saturated Scaffold Enabled by Iron‐catalysed [2 + 2]‐Cycloaddition

open access: yesChemistry – A European Journal, EarlyView.
First syntheses of pyrrolidine‐, piperidine‐, and azepane tricyclic β‐lactams based on a saturated scaffold are achieved through an Fe‐pyrimidinediimine‐catalysed [2 + 2] cycloaddition of allylamines analogues followed by photo‐induced intramolecular C─H insertion.
Lea Freitag   +4 more
wiley   +1 more source

London Dispersion versus Intramolecular Hydrogen Bond in Bis‐Pyridines: How Accurate Is DFT for Competing Noncovalent Interactions in the Condensed Phase?

open access: yesChemistry – A European Journal, EarlyView.
A test system of 14 singly protonated bis‑pyridine salts, with varying H‑bonded and London dispersion interactions, was designed to systematically study non‑covalent interactions across the gas, solution, and solid phases. A good correlation between the 1H chemical shift and the N‐H–N angle from the crystal structures was established.
Adélaïde Savoy   +3 more
wiley   +1 more source

Estimating strongly wetting to non‐wetting contact angles for pure and mixed liquids on solids by considering film pressure

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract In solid–liquid–vapour systems, the effect of film pressure (πe$$ {\pi}_e $$) by vapour adsorbate molecules becomes significant when the solid surface energy is similar to or larger than that of the liquid. We extend Young equation applicability to estimate contact angles of pure and mixed liquids on smooth solids by including πe$$ {\pi}_e $$,
Aliakbar Roosta, Nima Rezaei
wiley   +1 more source

Investigation of microalgal tolerance and growth in simulated tailings pond water containing naphthenic acids

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract Oil sands tailings ponds, such as those in northeastern Alberta, present environmental challenges due to slow sedimentation, water entrapment, and toxic naphthenic acids (NAs), which hinder water reclamation. This study assessed the tolerance and biodegradation potential of Chlorella vulgaris (C.
Amin Kalbasi, Amarjeet Bassi
wiley   +1 more source

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