Results 121 to 130 of about 50,961 (259)

Beyond location modeling and GIS: Integration and bridging

Computers & Operations Research
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
openaire   +1 more source

Spin Coupling in Symmetric and Asymmetric Allyl and Phenalenyl Diradicals Bridged by an Inverted Singlet-Triplet System. [PDF]

J Phys Chem A
Barreca MT, Di Maiolo F.
europepmc   +1 more source

A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science

Advanced Engineering Materials, EarlyView.
We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann, Sarath Menon, Raphael Röske, Johannes Steinhülb, Michael Selzer, Jan Janssen, Tilmann Hickel, Ruth Schwaiger, Jörg Neugebauer   +8 more
wiley   +1 more source

How Spin Conductive are Oligo(p-phenylenes) in Trityl-Based Biradicals. [PDF]

J Am Chem Soc
Kopp KL, Pellegrini A, Grimme S, Schiemann O.   +3 more
europepmc   +1 more source

PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science

Advanced Engineering Materials, EarlyView.
Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley   +1 more source

Dual role of a conjugated bridge in intramolecular singlet fission: light-harvesting antenna and energy funnel. [PDF]

Chem Sci
Kong J, Majumder K, Sharma MK, Mukherjee S, Musser AJ, Patil S, Kim W.   +6 more
europepmc   +1 more source

Current Status and Challenges in Data Collection for Aerospace Coatings Deposited by Plasma Spraying

Advanced Engineering Materials, EarlyView.
An innovative approach has been integrated into the GRENAT project to optimize plasma spraying and coating performance. Raw materials are accelerated and melted in the plasma generated by torches, creating coatings. Monitoring sensors collect process data which are combined with ex situ characterization data.
Lila Randriamananjara, Vincent Rat, Quentin Dubreuil, Patrice Valorge, Simon Goutier, Alain Denoirjean, Olivier Messe, Céline Ruelle, Jean‐Philippe Poli   +8 more
wiley   +1 more source

Machine learning evaluation of PI control effects on neutral equilibrium in bridge virtual pier systems. [PDF]

Sci Rep
Sung WP, Shih MH.
europepmc   +1 more source

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Activation volumes associated with excited-state electron transfer across amidinium-carboxylate bridge. [PDF]

Chem Sci
Langford D, Weiß R, Krug M, Urbani M, Zahl A, Müller C, Clark T, Torres T, Guldi DM.   +8 more
europepmc   +1 more source