Results 201 to 210 of about 1,204,200 (341)

Data-Driven Virtual Screening of Conformational Ensembles of Transition-Metal Complexes. [PDF]

J Chem Theory Comput
Finta S, Kalikadien AV, Pidko EA.
europepmc   +1 more source

Early Rare-Earth Metal Cluster Complexes With Endohedral Transition Metals [PDF]

, 2013
Steinberg, Simon
core  

Multimodal Data‐Driven Microstructure Characterization

Advanced Engineering Materials, EarlyView.
A self‐consistent autonomous workflow for EBSP‐based microstructure segmentation by integrating PCA, GMM clustering, and cNMF with information‐theoretic parameter selection, requiring no user input. An optimal ROI size related to characteristic grain size is identified.
Qi Zhang, Santiago Benito, Özge Özgün, Sebastian Weber, Markus Stricker   +4 more
wiley   +1 more source

Molecular Design Principles for Photoactive Transition Metal Complexes: A Guide for "Photo-Motivated" Chemists. [PDF]

J Am Chem Soc
Morselli G, Reber C, Wenger OS.
europepmc   +1 more source

Heterocyclic Schiff base transition metal complexes in antimicrobial and anticancer chemotherapy.

MedChemComm, 2018
M. Malik, Ovas Ahmad Dar, P. Gull, M. Y. Wani, A. A. Hashmi   +4 more
semanticscholar   +1 more source

Tailoring Functional Properties of Ti–Ni–Cu Shape Memory Alloy Thin Films for MEMS Actuators

Advanced Engineering Materials, EarlyView.
A comprehensive study of critical parameters required to develop well‐performing Ti–Ni–Cu thin film shape memory alloy microactuators is provided. Materials science and device integration aspects are integrated by addressing structural and physical relationships using complementary characterization techniques as well as a practical fabrication solution
Elaheh Akbarnejad, Aleksander Kostka, Gowtham Arivanandhan, Yujiao Li, Alan Savan, Manfred Kohl, Alfred Ludwig   +6 more
wiley   +1 more source

Recent advances in the synthesis and versatile applications of transition metal complexes featuring Schiff base ligands. [PDF]

RSC Adv
Malav R, Ray S.
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

Transition metal complexes: next-generation photosensitizers for combating Gram-positive bacteria. [PDF]

Future Med Chem
Pei L, Yu X, Shan X, Li G.
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