Results 261 to 270 of about 925,091 (281)

Charge State Influence on Stability and Isomerism in Dehydrogenated PAHs: Insights from Anthracene, Acridine, and Phenazine

open access: yesChemPhysChem, Volume 26, Issue 6, March 15, 2025.
The ionization of anthracene, acridine, and phenazine has been explored, along with the removal of one and two hydrogen atoms, to provide valuable information for astrochemists and to understand the behavior of the resulting structures and their electronic reorganization. Abstract In this study, we systematically explored the stability and isomerism of
Khaldia Zghida   +3 more
wiley   +1 more source

Oral bioaccessibility and probabilistic human health risk assessment of potentially toxic elements in stream sediments from an abandoned gold mine in Panama. [PDF]

open access: yesEnviron Geochem Health
González-Valoys AC   +9 more
europepmc   +1 more source

Reactions of 1,4‐Diborinine Derivatives with CO2

open access: yesChemPhysChem, EarlyView.
The reaction of CO2 with seven molecules featuring a 1,4‐diborinine central ring is studied by means of density functional theory calculations. The selected systems present five‐ and six‐membered aza rings surrounding 1,4‐diborinine. The computed reactivity trends and origin of regioselectivity are quantitatively analyzed with the activation strain ...
Maxime Ferrer   +3 more
wiley   +1 more source

The first complete genome of Fructilactobacillus vespulae: strain Mu01, isolated from nectar of Musa paradisiaca L. [PDF]

open access: yesBMC Genom Data
Zúñiga M   +5 more
europepmc   +1 more source

Innovación : Universidad-industria [PDF]

open access: yes, 2012
Cárdenas Franco, Luis
core  

Variation of Nucleophilicity NHnA of Atoms A in Hydrides HnA with the Group and Row of A in the Periodic Table

open access: yesChemPhysChem, EarlyView.
Gradients of De versus electrophilicity EHX graphs for hydrogen‐bonded complexes HnA···HX give nucleophilicities of atoms A of Lewis base HnA. The dependence of nucleophilicity of hydrides HnA on their position in the periodic table is then obtained by varying the atom A down the rows within a group and across rows from group to group ...
Ibon Alkorta, Anthony Legon
wiley   +1 more source

A Thermodynamic Scale of Multiple Bonds Reducibility Based on G4 Calculations

open access: yesChemPhysChem, EarlyView.
An original scale for the reducibility of multiple bonds is established through G4 theoretical calculations in two steps: 1) comparing the gas heats of formation (ΔfH°) derived from G4 theoretical calculations with experimental values from NIST and ATcT, and 2) using the calculated ΔfH° (G4) to determine the hydrogenation enthalpies (ΔH2H ...
José Elguero, Ibon Alkorta
wiley   +1 more source

Controlling Lampenflora in Heritage Sites: In Situ Testing of Polyoxometalate–Ionic Liquids in the Pommery Champagne Cellar

open access: yesChemPlusChem, EarlyView.
The article evaluates polyoxometalate–ionic liquids (POM–ILs) as biocidal agents against lampenflora in the UNESCO‐listed Pommery Champagne cellar. POM–ILs effectively inhibit microbial colonization over one year with minimal visual impact and outperform the commercial biocide Preventol RI80.
Stéphanie Eyssautier‐Chuine   +10 more
wiley   +1 more source

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