Results 171 to 180 of about 649,054 (286)

High-level computational methods: assessment, development, and applications to problems in organic chemistry and biochemistry

, 2017
Li‐Juan Yu
openalex   +1 more source

Organic Electrochemical Transistor Channel Materials: Copolymerization Versus Physical Mixing of Glycolated and Alkoxylated Polymers

Advanced Functional Materials, EarlyView.
This work discusses the use of blended channel materials in OECTs. It explores how mixing glycolated and alkoxylated polymers in various ratios offers a simpler and more efficient route to tuning OECT properties. The performance of the polymer blends is compared to the corresponding copolymers, demonstrating similar OECT characteristics, swelling ...
Lize Bynens, Kaishuai Zhang, Priscila Cavassin, Arwin Goossens, Jochen Vanderspikken, Tania C. H. Castillo, Demetra Tsokkou, Adam Marks, Arianna Magni, Karrie Weaver, Laurence Lutsen, Sahika Inal, Koen Vandewal, Natalie Banerji, Wouter Maes   +14 more
wiley   +1 more source

Target screening and optimization of candidate compounds for breast cancer treatment using bioinformatics and computational chemistry approaches. [PDF]

Front Pharmacol
Xu J, Li X, Jia Y.
europepmc   +1 more source

The Synergistic Role of Bioinformatics and Computational Chemistry in Modern Drug Research

Mane Rutuja S. Mane Rutuja S., Dennis Amirtharaj S. M., Doltade Sonal Doltade Sonal, S Vaishnavi, B. Mahesh   +4 more
openalex   +1 more source

Computational Chemistry of Compounds with Donor-Acceptor Interactions

, 2019
Yasir Altaf
openalex   +1 more source

Influence of Layering and Curie Temperature Uncertainty on the Performance of Multilayer Active Magnetic Regenerators

Advanced Functional Materials, EarlyView.
This study examines how manufacturing uncertainties in Curie temperatures (1.5–2°C) affect multilayer active magnetic regenerators (AMR). While increasing the number of magnetocaloric layers boosts cooling power, performance degrades due to temperature variations.
Urban Tomc, Guilherme F. Peixer, Christian R. H. Bahl, Kaspar K. Nielsen, Jaime A. Lozano, Jader R. Barbosa, A. Kitanovski   +6 more
wiley   +1 more source

Session Computational Chemistry

CHIMIA, 2015
David Spichiger
doaj   +2 more sources

Session Computational Chemistry

CHIMIA, 2020
David Spichiger
doaj  

Computational Chemistry: Abstracts 507-518

CHIMIA, 2011
Swiss Chemical Society
doaj   +1 more source

Computational Chemistry Study of pH-Responsive Fluorescent Probes and Development of Supporting Software. [PDF]

Molecules
Zhu X, Wei Y, Liu X.
europepmc   +1 more source