Results 121 to 130 of about 5,336,405 (341)

Multidisciplinary research in space sciences and engineering with emphasis on theoretical chemistry [PDF]

open access: yes
A broad program is reported of research in theoretical chemistry, particularly in molecular quantum and statistical mechanics, directed toward determination of the physical and chemical properties of materials, relation of these macroscopic properties to
Curtiss, C. F., Hirschfelder, J. O.
core   +1 more source

Circumstellar discs: What will be next?

open access: yes, 2017
This prospective chapter gives our view on the evolution of the study of circumstellar discs within the next 20 years from both observational and theoretical sides.
A Boccaletti   +256 more
core   +1 more source

First‐Principles Modeling of Solid Solution Softening and Hardening Effects in Al–Mg–Zr–Si Aluminum Alloys

open access: yesAdvanced Engineering Materials, EarlyView.
The role of various alloying elements in face‐centered cubic aluminum on the barrier of a Shockley partial dislocation during its motion is presented. The study aims to understand how alloying atoms such as Mg, Si, and Zr affect the energy landscape for dislocation motion, thus influencing the solid solution hardening and softening in aluminum, which ...
Inna Plyushchay   +3 more
wiley   +1 more source

Annealing Relaxation of Ultrasmall Gold Nanostructures

open access: yes, 2014
Except serving as an excellent gift on proper occasions, gold finds applications in life sciences, particularly in diagnostics and therapeutics. These applications were made possible by gold nanoparticles, which differ drastically from macroscopic gold ...
Chaban, Vitaly
core   +1 more source

Boosting lithium storage in covalent organic framework via activation of 14-electron redox chemistry

open access: yesNature Communications, 2018
Conjugated polymeric molecules have been heralded as promising electrode materials for the next-generation energy-storage technologies owing to their chemical flexibility at the molecular level, environmental benefit, and cost advantage.
Zhendong Lei   +8 more
semanticscholar   +1 more source

Atmospheric Chemistry of N-Methylmethanimine (CH3N═CH2): A Theoretical and Experimental Study [PDF]

open access: hybrid, 2022
Arne Joakim C. Bunkan   +6 more
openalex   +1 more source

High‐Temperature Oxidation of the CrFeNi Medium‐Entropy Alloy

open access: yesAdvanced Engineering Materials, EarlyView.
The oxidation behavior of equiatomic CrFeNi MEA is a key issue that determines this material's suitability for high‐temperature application. The understanding of long‐term behavior is even more crucial than short‐term corrosion effects. The alloy is exposed to synthetic air at 1000, 1050, and 1100 °C for 24, 100, and 1000 h and systematically compared ...
Anna Maria Manzoni   +5 more
wiley   +1 more source

Chemical Bonding and Dynamic Structural Fluxionality of a Boron-Based B8Al3+ Cluster

open access: yesMolecules
We studied the boron-based composite cluster B8Al3+ doped with Al atoms. The global minimum structure of the B8Al3+ cluster is a three-layer structure, consisting of three parts: an Al2 unit, a B8 ring and an isolated Al atom.
Shu-Juan Gao, Tan-Lai Yu
doaj   +1 more source

Substitution effect and effect of axle’s flexibility at (pseudo-)rotaxanes

open access: yesBeilstein Journal of Organic Chemistry, 2014
This study investigates the effect of substitution with different functional groups and of molecular flexibility by changing within the axle from a single C–C bond to a double C=C bond.
Friedrich Malberg   +5 more
doaj   +1 more source

Home - About - Disclaimer - Privacy