Results 71 to 80 of about 19,362 (258)

A general approximation method for accurate evaluation of the intermolecular potential parameters by using density functional theory

Kuwait Journal of Science
In this work, a new approach is developed and presented for determining the intermolecular potential parameters from intermolecular interaction energy data obtained using the Density Functional Theory (DFT) method over a different basis set. The proposed
Bahtiyar Akber Mamedov, Elif Somuncu, Ebru Karatas   +2 more
doaj   +1 more source

Sustainability Certifications as Strategic Tools: Environmental Accountability, Institutional Robustness and Global Convergence

Business Strategy and the Environment, EarlyView.
ABSTRACT Sustainability certifications are increasingly used as strategic tools to advance accountability for environmental sustainability. This study addresses the challenge of fragmented national certification standards by proposing and applying a replicable method to assess the structural robustness and convergence of industry‐specific ...
Teresa Turzo, Cecilia Chirieleison, Carmela Gulluscio, Giacomo Marzi   +3 more
wiley   +1 more source

A precise estimation for vibrational energies of diatomic molecules using the improved Rosen-Morse potential. [PDF]

Sci Rep, 2023
Abu-Shady M, Khokha EM.
europepmc   +1 more source

Decision Theory and Proof Standards for Future Crimes: Possible Uses and Open Questions

Behavioral Sciences &the Law, EarlyView.
ABSTRACT What should be the proof standard for applying preventive criminal sanctions based on an establishment of risk of reoffending? This is an open question in legal systems around the world. Various authors suggest that we can answer it by using decision theory. This approach conceptualises the proof standard as a probabilistic threshold. A person
Hylke Jellema, Johannes Bijlsma
wiley   +1 more source

QUANTUM INFORMATION ENTROPIES OF THE EIGENSTATES OF THE MORSE POTENTIAL

International Journal of Modern Physics B, 2008
The position and momentum space information entropies for the Morse potential are numerically obtained for different strengths of the potential. It is found to satisfy the bound obtained by Beckner, Bialynicki-Birula, and Mycielski. Interesting features of the entropy densities are graphically demonstrated.
Sever, Ramazan, AYDINER, Ekrem, Orta, Cenk   +2 more
openaire   +3 more sources

Multifunctional Flexible Thermoelectric Fabric for Smart Wearables

Carbon Energy, EarlyView.
This study designs a multifunctional rGO/PEDOT:PSS fabric integrating thermoelectric generation, signal sensing, and EMI shielding. It enables motion detection, respiratory monitoring, and fetal movement tracking. The fabric emphasizes flexibility, durability, comfort, and safety, making it suitable for wearable healthcare applications and advancing ...
Jia Wu, Yan Dong, Bingyi Li, Linlin Zhang, Wuwei Bao, Cheng Zhang, Yao Wang, Miao Miao, Man Zhou, Yifan Cui, Xinyang He   +10 more
wiley   +1 more source

Investigating the Electrochemical Double Layer with Quantum‐Chemical Simulations and Implicit Solvation Models

Chemistry – A European Journal, EarlyView.
ESM‐RISM is applied to model electrochemical interfaces and benchmarked against Poisson–Boltzmann and molecular dynamics results. Density profiles, differential capacitance, and adsorption energetics at the gold–electrolyte interface are analyzed, highlighting the capabilities of this implicit electrolyte framework.
Alessandro Mangiameli, Christopher J. Stein   +1 more
wiley   +1 more source

Performance analysis of Thue Morse acoustic resonators for noise reduction

Scientific Reports
This article explores acoustic band gap in the Thue-Morse phononic crystal structures for application in acoustic filtering. By using the unique nature of Thue-Morse sequences, we systematically analyze transmission spectra over many generations of ...
Zaky A. Zaky, Mohamed El Malki, Ilyas Antraoui, Ali Khettabi, Mohammed Sallah   +4 more
doaj   +1 more source

A Geometric Characterization of Steady Laminar Flow

Communications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We study the steady states of the Euler equations on the periodic channel or annulus. We show that if these flows are laminar (layered by closed non‐contractible streamlines which foliate the domain), then they must be either parallel or circular flows.
Theodore D. Drivas, Marc Nualart
wiley   +1 more source

Clinical Characterization of Enzyme and Transporter Precipitants to Evaluate Drug–Drug Interactions for Orforglipron, a Small Molecule Glucagon‐Like Peptide‐1 Receptor Agonist

Clinical Pharmacology &Therapeutics, EarlyView.
Orforglipron is an orally administered, small‐molecule glucagon‐like peptide‐1 receptor agonist in clinical development for the treatment of type 2 diabetes and obesity. Orforglipron is a substrate of CYP3A4, organic anion transporting polypeptides (OATPs) 1B/1B3, and P‐glycoprotein (P‐gp); however, precipitants commonly used to define these mechanisms
Bridget L. Morse, David E. Coutant, Xiaosu Ma, Sohini Raha, Keerthan Aithal, Clare Nicoll, Luc R. A. Rougée, Shobha Bhattachar   +7 more
wiley   +1 more source