Results 151 to 160 of about 4,096,407 (285)

The Mechanism of Biochemical NO-Sensing: Insights from Computational Chemistry. [PDF]

Chemistry, 2022
Rozza AM, Papp M, McFarlane NR, Harvey JN, Oláh J.   +4 more
europepmc   +1 more source

Adaptive Foam 3D Printing of Ultralight and Multifunctional Materials

Advanced Engineering Materials, EarlyView.
Adaptive foam 3D printing, enabled by expandable microspheres, imparts cellular structures to thermoplastic and thermosetting polymers, manufactured through a variety of processes including fused filament fabrication, direct ink writing, digital light processing, and inkjet printing.
Nariman Rajabifar, Amir Ameli
wiley   +1 more source

Computational Chemistry: Abstracts 507-518

CHIMIA, 2011
Swiss Chemical Society
doaj   +1 more source

Generative AI for computational chemistry: A roadmap to predicting emergent phenomena. [PDF]

Proc Natl Acad Sci U S A
Tiwary P, Herron L, John R, Lee S, Sanwal D, Wang R.   +5 more
europepmc   +1 more source

Non‐Additive Criteria Assessment in Sustainability Evaluation of High Entropy Alloys: A Toxicity‐Weighted Framework

Advanced Engineering Materials, EarlyView.
Sustainability assessment requires methodologies that appropriately distinguish between additive and non‐additive material properties. A toxicity‐weighted scoring system is developed and applied that accounts for the disproportionate influence of highly toxic constituents through nonlinear weighting functions, providing more realistic estimates than ...
Seth Mehalic, Oladele A. Ogunseitan, Julie M. Schoenung   +2 more
wiley   +1 more source

Session Computational Chemistry

CHIMIA, 2015
David Spichiger
doaj   +2 more sources

Computational Chemistry: Abstracts 143-195

CHIMIA, 2010
Swiss Chemical Society
doaj   +1 more source

TheorChem2Blender: an open-source tool to convert computational chemistry outputs into Blender-ready 3D objects. [PDF]

J Cheminform
Echeverri-Jimenez E.
europepmc   +1 more source

Entropy‐Driven Design of Low‐Melting‐Point Alloys via Compositionally Complex Strategy

Advanced Engineering Materials, EarlyView.
Conventional low‐melting‐point alloys (LMPAs) are limited by a narrow compositional space and inherent property trade‐offs. This review presents an entropy‐driven design strategy that overcomes these limitations, ushering in a new class of low‐melting‐point compositionally complex alloys (LMCCAs).
Yinghui Shang, Jianxiang Zhao, Zhaoqi Chen, Hao Gong, Yinsen Yan, Junlei Tao, Yong Yang   +6 more
wiley   +1 more source

Computational Chemistry Advances in the Development of PARP1 Inhibitors for Breast Cancer Therapy. [PDF]

Pharmaceuticals (Basel)
Twala C, Govender P, Govender K.
europepmc   +1 more source