Results 231 to 240 of about 387,648 (305)

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

open access: yesChemistry – A European Journal, EarlyView.
Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer   +3 more
wiley   +1 more source

Rethinking Climate Change on the Role of Human Power Generation, Alternative Perspectives, Potential Solutions, and a Plea for Action

open access: yesChemie Ingenieur Technik, EarlyView.
All energy matters Let us broaden the discussion on solutions to climate change. Greenhouse gases have upset the delicate equilibrium of the Earth's energy balance. Consequently, all sources of heat affect the temperature of the Earth. Although the amount of additional heat generated by humans is a fraction of that produced by the sun, it is generated ...
Martin Bertau   +2 more
wiley   +1 more source

WSPLK: A systematic approach to the thermodynamic characterization of light and heavy Mexican crude oil

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract A streamlined characterization framework (WSPLK) is presented for modelling complex reservoir fluids using cubic equations of state. The key methodological contribution is the introduction of a single global parameter ε directly into Pedersen's boiling‐point correlation, restoring pure‐component calibration and eliminating the need for ...
Angélica Merlo‐Robredo   +3 more
wiley   +1 more source

A goodness‐of‐fit test for regression models with discrete outcomes

open access: yesCanadian Journal of Statistics, EarlyView.
Abstract Regression models are often used to analyze discrete outcomes, but classical goodness‐of‐fit tests such as those based on the deviance or Pearson's statistic can be misleading or have little power in this context. To address this issue, we propose a new test, inspired by the work of Czado et al.
Lu Yang   +2 more
wiley   +1 more source

Nuclear Entanglement: New Insights Into the Role of Cytoskeleton and Nucleoskeleton in Plant Nuclear Function

open access: yesCytoskeleton, EarlyView.
ABSTRACT Of the three types of cytoskeleton known in animals—actin, microtubules, and intermediate filaments—only actin and microtubules exist in plants. Both play important roles in cellular shaping, organelle movement, organization of the endomembrane system, and cell signaling.
Norman R. Groves   +3 more
wiley   +1 more source

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