Results 201 to 210 of about 53,408 (293)

Bond and Antibond Resonances: A Unified Framework for Singlet Biradical Character

open access: yesChemistry – A European Journal, EarlyView.
The electronic structure of a variety of singlet biradicaloids may be described in the Lewis picture using single antibonds as the central bonding motif. In conjunction with a consistent set of biradical indicators, we can resolve some long‐standing disputes over the biradical character of molecules such as O3 and S2N2.
Daniel T. Gschwind, Jonas Bresien
wiley   +1 more source

Conversion Between 2‐ and 3‐Dimensional Halogen‐Bonded Networks Formed From a Single N‐Oxide/Iodoalkyne Building Block

open access: yesChemistry – A European Journal, EarlyView.
Open halogen‐bonded networks have been prepared from building blocks that incorporate both iodoalkyne halogen bond donors and a pyridine‐N‐oxide halogen bond acceptor. An initially‐formed 3D network containing dioxane in its channels undergoes an unprecedented transition to a 2D material when crystals are exposed to diethyl ether.
Jordan N. Smith   +4 more
wiley   +1 more source

A hidden Markov model and reinforcement learning‐based strategy for fault‐tolerant control

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract This study introduces a data‐driven control strategy integrating hidden Markov models (HMM) and reinforcement learning (RL) to achieve resilient, fault‐tolerant operation against persistent disturbances in nonlinear chemical processes. Called hidden Markov model and reinforcement learning (HMMRL), this strategy is evaluated in two case studies
Tamera Leitao   +2 more
wiley   +1 more source

Failure characteristics and the energy criterion of rock with a through‐going joint under true‐triaxial unloading conditions: Insights from the DEM model

open access: yesDeep Underground Science and Engineering, EarlyView.
The rock failure mode is significantly influenced by the contributing factors, such as the joint inclination, the initial confining pressure, and the unloading point. We found six typical rock failure modes after a large number of numerical tests. Abstract Excavation unloading damages rock masses, with preferential failure along geological defects in ...
Fei Liu   +4 more
wiley   +1 more source

Investigation on hard‐rock breaking performance and auxiliary mechanism of picks assisted with both‐sided high‐pressure water jets

open access: yesDeep Underground Science and Engineering, EarlyView.
This paper investigates the high‐pressure water jet‐pick combined rock‐breaking mode (HPC), which employs high‐pressure water jets to precut grooves on both sides of the picks. The rock‐breaking patterns and performance of the HPC method are obtained, and the auxiliary rock‐breaking mechanism of water jet grooving is revealed.
Jingjing Lu   +6 more
wiley   +1 more source

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