Results 221 to 230 of about 45,497 (307)

On Multilevel Energy‐Based Fragmentation Methods

open access: yesInternational Journal of Quantum Chemistry, Volume 126, Issue 3, January 30, 2026.
We investigate the working equations of energy‐based fragmentation methods and present ML‐SUPANOVA, a Möbius‐inversion‐based multilevel fragmentation scheme that enables adaptive, quasi‐optimal truncations to efficiently approximate Born‐Oppenheimer potentials across hierarchies of electronic‐structure methods and basis sets.
James Barker   +2 more
wiley   +1 more source

An Efficient Solid Phase Extraction Method for Purification and Analysis of Compound‐Specific Plant Sugar Stable Hydrogen Isotope Values

open access: yesRapid Communications in Mass Spectrometry, Volume 40, Issue 2, 30 January 2026.
ABSTRACT Rationale The stable hydrogen isotope composition (δ2H) of plant compounds can serve as environmental or metabolic proxies, but interpretations are hindered by insufficient mechanistic understanding. This can be improved by analyzing the δ2H values of metabolic intermediates, such as sucrose, which is the direct substrate of cellulose and a ...
Selina Hugger   +3 more
wiley   +1 more source

Influence of coexisting lower alkanes on low temperature oxidation reaction of n-heptane

open access: diamond, 2016
Ichiro Taoka   +5 more
openalex   +1 more source

Industrial application of catalytic systems for n-heptane isomerization. [PDF]

open access: yesMolecules, 2011
Alemán-Vázquez LO   +3 more
europepmc   +1 more source

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