How computational methods and relativistic effects influence the study of chemical reactions involving Ru‐NO complexes?
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.24762
Abstract: Two treatments of relativistic effects, namely effective core potentials (ECP) and all‐electron scalar relativistic effects (DKH2), are used to obtain geometries and chemical reaction energies for a series of ruthenium complexes in B3LYP/def2‐TZVP calculations. Specifically,… read more here.
Keywords: influence study; relativistic effects; effects influence; computational methods ... See more keywords
Size effects influence on conducting properties of Cu-Nb alloy microcomposites at cryogenic temperature
Sign Up to like & getrecommendations! Published in 2018 at "Cryogenics"
DOI: 10.1016/j.cryogenics.2018.01.010
Abstract: Abstract A comprehensive study has been carried out in relation to the conductivity of heavily deformed Cu-16wt%Nb nanostructured wires at room and cryogenic temperatures. When the true strain exceeds 5, the growth rates of the… read more here.
Keywords: properties alloy; temperature; size effects; effects influence ... See more keywords
Subtle Stereochemical Effects Influence Binding and Purification Abilities of an FeII4L4 Cage
Sign Up to like & getrecommendations! Published in 2023 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.3c00294
Abstract: A tetrahedral FeII4L4 cage assembled from the coordination of triangular chiral, face-capping ligands to iron(II). This cage exists as two diastereomers in solution, which differ in the stereochemistry of their metal vertices, but share the… read more here.
Keywords: feii4l4 cage; stereochemical effects; effects influence; cage ... See more keywords
Editorial: Nocebo Effects and Their Influence on Clinical Trials and Practice: Modulating Factors in Healthy and Pathological Conditions
Sign Up to like & getrecommendations! Published in 2020 at "Frontiers in Pharmacology"
DOI: 10.3389/fphar.2020.00100
Abstract: The nocebo phenomenon comprises negative health outcomes following negative perceptions, communications and expectations toward experimental paradigms and treatment outcome. Recently, the nocebo phenomenon has become a hot topic as it may compromise the outcome of… read more here.
Keywords: trials practice; effects influence; nocebo effects; clinical trials ... See more keywords
Effects and Influence of External Electric Fields on the Equilibrium Properties of Tautomeric Molecules
Sign Up to like & getrecommendations! Published in 2023 at "Molecules"
DOI: 10.3390/molecules28020695
Abstract: In this review, we have attempted to briefly summarize the influence of an external electric field on an assembly of tautomeric molecules and to what experimentally observable effects this interaction can lead to. We have… read more here.
Keywords: effects influence; external electric; tautomeric molecules; molecules effects ... See more keywords