Results 41 to 50 of about 5,336,405 (341)

Pathological Science [PDF]

open access: yes, 2000
I discuss examples of what Dr. Irving Langmuir, a Nobel prize winner in Chemistry, called "the science of things that aren't so." Some of his examples are reviewed and others from High Energy Physics are added. It is hoped that discussing these incidents
Stone, Sheldon
core   +3 more sources

Two modified Zagreb indices for random structures

open access: yesMain Group Metal Chemistry, 2021
Random structure plays an important role in the composition of compounds, and topological index is an important index to measure indirectly the properties of compounds.
Li Siman, Shi Li, Gao Wei
doaj   +1 more source

Dust cloud evolution in sub-stellar atmospheres via plasma deposition and plasma sputtering [PDF]

open access: yes, 2017
Context. In contemporary sub-stellar model atmospheres, dust growth occurs through neutral gas-phase surface chemistry. Recently, there has been a growing body of theoretical and observational evidence suggesting that ionisation processes can also occur.
Diver, D. A., Stark, C. R.
core   +4 more sources

Investigating the transformations of polyoxoanions using mass spectrometry and molecular dynamics [PDF]

open access: yes, 2016
The reactions of [γ-SiW10O36]8– represent one of the most important synthetic gateways into a vast array of polyoxotungstate chemistry. Herein, we set about exploring the transformation of the lacunary polyoxoanion [β2-SiW11O39]8– into [γ-SiW10O36]8 ...
Antonio Rodríguez-Fortea   +9 more
core   +2 more sources

Specioside (SS) & verminoside (VS) (Iridoid glycosides): isolation, characterization and comparable quantum chemical studies using density functional theory (DFT)

open access: yesHeliyon, 2019
Two biologically important molecules specioside (SS) and verminoside (VS) have been isolated from the ethanolic extract of stem bark of Kigelia pinnata.
Monika Saini   +5 more
doaj   +1 more source

Understanding oxygen evolution mechanisms by tracking charge flow at the atomic level

open access: yesiScience, 2023
Summary: Current classifications of oxygen evolution catalysts are based on energy levels of the clean catalysts. It is generally asserted that a LOM-catalyst can only follow LOM chemistry in each electron transfer step and that there can be no mixing ...
Changming Zhao   +4 more
doaj   +1 more source

Influence of atomic bonds on the properties of the laxative drug sodium picosulphate

open access: yesHeliyon, 2016
In this work, the influence of the different S═O, S−O, N⋯H, O⋯H, Na⋯O bonds present in the structures of the powerful laxative drug, sodium picosulphate in gas and aqueous solution phases were studied combining the density functional theory (DFT ...
Davide Romani   +2 more
doaj   +1 more source

Theoretical and Computational Chemistry

open access: yesCHIMIA, 2010
Computer-based and theoretical approaches to chemical problems can provide atomistic understanding of complex processes at the molecular level.
Markus Meuwly
doaj   +1 more source

Influence of surface chemistry on the electronic properties of graphene related carbon materials

open access: yes, 2010
A theoretical study on the influence of organic functional groups on the electronic properties of graphene related carbon materials was carried out. Here we report, using density functional theory and tight-binding approach, that the best candidates for ...
Akira Miyamoto   +35 more
core   +1 more source

Mapping the evolution of mitochondrial complex I through structural variation

open access: yesFEBS Letters, EarlyView.
Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin   +2 more
wiley   +1 more source

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