Results 281 to 290 of about 746,739 (376)

Understanding the active site structures and achieving catalytic activity tuning of atomically dispersed FeN4 sites for oxygen reduction reaction

open access: yesChemPhysChem, Accepted Article.
Atomically dispersed Fe‐N‐C catalysts with high oxygen reduction reaction (ORR) activity have attracted great attention since the last decade. Due to its comparable ORR activity and low material cost, it is a promising platinum‐group metal (PGM) free catalyst that can replace the commercialized Pt/C materials; furthermore, it can facilitate the ...
Jiayi Xu   +3 more
wiley   +1 more source

Elucidating the Structures of Substituted Adamantyl Esters and Ethers Using Rotational Spectroscopy and Computations

open access: yesChemPhysChem, EarlyView.
Five adamantyl esters and ethers with alkyl substituents of increasing branching are investigated by rotational spectroscopy. From the experimental data, their accurate structures are derived. All the derivatives feature similar CC distances, regardless of the functional group, the alkyl substituent, or other effects as methyl top internal rotation ...
Nataša Burić   +5 more
wiley   +1 more source

Scalable Structure for Chiral Quantum Routing. [PDF]

open access: yesEntropy (Basel)
Ragazzi G   +4 more
europepmc   +1 more source

Vibrational Partition Functions from Bond Order and Populations Relationships

open access: yesChemPhysChem, EarlyView.
A new computational model is presented that predicts vibrational partition functions using bond orders and populations relationships (QBOP). This model demonstrates that thermochemical energy contributions can be reasonably approximated based on well‐conditioned orbital populations without the need for a costly Hessian calculation.
Barbaro Zulueta, John A. Keith
wiley   +1 more source

Hamiltonian loops [PDF]

open access: yesProceedings of the American Mathematical Society, 1952
openaire   +1 more source

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