Hasil untuk "Chemistry"

Yinghua Jin, Chao Yu, Ryan J. Denman et al.

R. Wilcken, M. Zimmermann, Andreas Lange et al.

K. Loh, Q. Bao, P. K. Ang et al.

M. Friedman

H. Butt, K. Graf, M. Kappl

1. Introduction 2. Liquid Surfaces 3. Thermodynamics of Interfaces 4. Charged Interfaces and the Electric Double Layer 5. Surface Forces 6. Contact Angle Phenomena and Wetting 7. Solid Surfaces 8. Adsorption 9. Surface Modification 10. Friction, Lubrication, and Wear 11. Surfactants, Micelles, Emulsions, and Foams 12. Thin Films on Surfaces of Liquids 13. Solutions to Exercises 14. Analysis of Diffraction Patterns

I. Higuera‐Ciapara, L. Félix-Valenzuela, F. Goycoolea

A. Padwa

T. Goodwin

I. Gutman, O. Polansky

F. A. Kröger, N. Nachtrieb

B. R. Thakur, R. Singh, A. Handa et al.

Jennifer A. Prescher, C. Bertozzi

H. Böhm, D. Banner, Stefanie Bendels et al.

B. Finlayson‐Pitts, J. Pitts

Daniel R. Dreyer, A. D. Todd, C. Bielawski

J. M. Gottfried

Arun K. Ghosh, M. Brindisi

The carbamate group is a key structural motif in many approved drugs and prodrugs. There is an increasing use of carbamates in medicinal chemistry and many derivatives are specifically designed to make drug–target interactions through their carbamate moiety. In this Perspective, we present properties and stabilities of carbamates, reagents and chemical methodologies for the synthesis of carbamates, and recent applications of carbamates in drug design and medicinal chemistry.

S. Akhtar, T. Ismail, D. Fraternale et al.

Qiwei Zhang, Yicheng Wang, Jiayuan Wei et al.

Hydrogen energy, as a pivotal secondary energy carrier for the future, plays a core role in achieving global carbon neutrality goals through its green production. Currently, water electrolysis for hydrogen production, particularly alkaline water electrolysis, is regarded as the primary pathway for green hydrogen generation due to its technological maturity and cost‐effectiveness. However, this technology still faces challenges such as low operating current density, high energy consumption, and the difficulty in balancing the activity and stability of nonprecious metal catalysts under high current densities. The design of traditional electrocatalysts has reached a bottleneck, making breakthrough progress difficult. Therefore, this review focuses on internal and external field‐assisted water electrolysis strategies, systematically summarizing the latest research advances in field regulation for enhancing electrocatalytic performance. These strategies provide innovative approaches to addressing the energy efficiency and cost challenges in water electrolysis for hydrogen production, demonstrating the significant potential of field regulation in driving the development of next‐generation, high‐performance, and highly stable water electrolysis technologies.

Harry Brough

We present TUNA, an open-source quantum chemistry program specifically designed for atoms and diatomic molecules. Within this narrow molecular domain, a broad and consistent set of electronic structure methods and calculation types is available. Energies, optimisations, vibrational frequencies, response properties, coordinate scans and ab initio molecular dynamics trajectories can be accessed through an intuitive command-line interface. A single principle underlies TUNA: once a method can be used to evaluate the energy, all properties follow from numerical differentiation. This makes the program both a transparent teaching platform and a compact environment for benchmarking methods on diatomics $\unicode{x2014}$ among the most simple yet instructive systems in quantum chemistry. Reference implementations including density functional theory, many-body perturbation theory and coupled cluster theory, supported by detailed theoretical documentation, make TUNA an accessible foundation for developing improved methods and algorithms in electronic structure.