Results 141 to 150 of about 5,171,280 (369)

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

Beyond Order: Perspectives on Leveraging Machine Learning for Disordered Materials

open access: yesAdvanced Engineering Materials, EarlyView.
This article explores how machine learning (ML) revolutionizes the study and design of disordered materials by uncovering hidden patterns, predicting properties, and optimizing multiscale structures. It highlights key advancements, including generative models, graph neural networks, and hybrid ML‐physics methods, addressing challenges like data ...
Hamidreza Yazdani Sarvestani   +4 more
wiley   +1 more source

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

open access: yesHeliyon, 2020
1-[2-(2-hydroxy-3-methoxy-5-(4-methoxyphenylazo)benzaldeneamino)ethyl]-3-methyl-3H-imidazole (HMY) and 1-[2-(2-hydroxy-3-methoxy-5-(4-methylphenylazo)benzaldene amino)ethyl]-3-methyl-3H-imidazole (HMM) were synthesized and characterized using spectral ...
Veena S. Kumar   +7 more
doaj  

Low‐Activation Compositionally Complex Alloys for Advanced Nuclear Applications—A Review

open access: yesAdvanced Engineering Materials, EarlyView.
Low‐activation compositionally complex alloys (LACCAs) are advanced metallic materials primarily composed of low‐activation elements, offering advantages such as rapid compliance with operational standards and safe recyclability. This review highlights their potential for extreme high‐temperature irradiation environments as structural materials for ...
Yangfan Wang   +8 more
wiley   +1 more source

The magnetic fields of forming solar-like stars

open access: yes, 2010
Magnetic fields play a crucial role at all stages of the formation of low mass stars and planetary systems. In the final stages, in particular, they control the kinematics of in-falling gas from circumstellar discs, and the launching and collimation of ...
Donati, J. -F.   +3 more
core   +1 more source

Base-pairing of uracil and 2,6-diaminopurine: from cocrystals to photoreactivity

open access: yesiScience
Summary: We show that the non-canonical nucleobase 2,6-diaminopurine (D) spontaneously base pairs with uracil (U) in water and the solid state without the need to be attached to the ribose-phosphate backbone. Depending on the reaction conditions, D and U
Tomislav Stolar   +12 more
doaj  

Generalized Circuit Topology of Folded Linear Chains

open access: yesiScience, 2020
Summary: A wide range of physical systems can be formally mapped to a linear chain of sorted objects. Upon introduction of intrachain interactions, such a chain can “fold” to elaborate topological structures, analogous to folded linear polymer systems ...
Anatoly Golovnev, Alireza Mashaghi
doaj  

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