Results 111 to 120 of about 611,383 (325)

Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations [PDF]

, 2001
Shu‐Kun Lin
openalex   +1 more source

An Examination of Aerosol Jet‐Printed Surface Roughness and its Impact on the Performance of High‐Frequency Electronics

Advanced Engineering Materials, EarlyView.
This study explores aerosol jet‐printed (AJP) surface roughness, its effects on the performance of microwave electronics, and its process contributors. First, an electromagnetic model is vetted for AJP's unique roughness signature. Simulations are built which show process‐induced roughness is as significant as conductor resistivity in driving microwave
Christopher Areias, Alkim Akyurtlu
wiley   +1 more source

Recent updates in click and computational chemistry for drug discovery and development. [PDF]

Front Chem, 2023
Cai JH, Zhu XZ, Guo PY, Rose P, Liu XT, Liu X, Zhu YZ.   +6 more
europepmc   +1 more source

Planning a national center for large scale computation in chemistry research. Report of a workshop, Argonne National Laboratory, June 7--8, 1974

, 1974

openalex   +2 more sources

Geometry‐Based Scan Curve Analysis: Rapid Method for the Evaluation of Scan Strategies in Powder Bed Fusion

Advanced Engineering Materials, EarlyView.
This study presents rapid evaluation methods for scan strategies in powder bed fusion (PBF) of polymers with a NIR laser as an example for its application. It uses line buffer‐based calculations and point density fields to predict the performance of four different scan strategies. The methods show promising results in laser‐based PBF of polymer samples,
Simon Leupold, Michael Willeke, Alexander Sommereyns, Matthias Gehring, Parmar Yankit Dineshbhai, Nadine Stratmann, Anna Rosa Ziefuss, Sebastian‐Paul Kopp, Stephan Barcikowski, Michael Schmidt   +9 more
wiley   +1 more source

Design and Synthesis of D₃R Bitopic Ligands with Flexible Secondary Binding Fragments: Radioligand Binding and Computational Chemistry Studies. [PDF]

Molecules, 2023
Tian GL, Hsieh CJ, Taylor M, Lee JY, Luedtke RR, Mach RH.   +5 more
europepmc   +1 more source

An interplay between the phenomenon of chemical isomerism and symmetry requirements: A perennial source of stimuli for molecular-structure concepts, as well as for algebraic and computational chemistry

, 1986
Zdeněk Slanina
openalex   +1 more source

Large‐Scale Interlaboratory Study Along the Entire Process Chain of Laser Powder Bed Fusion: Bridging Variability, Standards, and Optimization across Metals and Polymers

Advanced Engineering Materials, EarlyView.
What happens when 32 labs join forces to study nanoparticle‐modified powders? A data‐driven journey through laser powder bed fusion—now openly accessible for the entire additive manufacturing community—is studied. Laser powder bed fusion is a cornerstone technology for additive manufacturing (AM) of metals and polymers, yet challenges in achieving ...
Ihsan Murat Kuşoğlu, Sunidhi Garg, Arvid Abel, Prasanna V. Balachandran, Stephan Barcikowski, Louis Becker, Jan-Simeon Bernsmann, Jonas Boseila, Christoph Broeckmann, Mert Coskun, Malte Dreyer, Mark East, Mark Easton, Nils Ellendt, Stan Gann, Bilal Gökce, Mareen Goßling, Joachim Greiner, Piotr Gruber, Moritz Grünewald, Kopila Gurung, Nick Hantke, Florian Hengsbach, Hannes Holländer, Brecht Van Hooreweder, Kay-Peter Hoyer, Yajiang Huang, Florian Huber, Olaf Kessler, Burçin Özbay Kısasöz, Stefan Kleszczynski, Ebubekir Koc, Tomasz Kurzynowski, Arno Kwade, Simon Leupold, Dongmei Liu, Felix Lomo, Arne Lüddecke, Gerrit A. Luinstra, David A. Mauchline, Fabian Meyer, Lars Meyer, Peter Middendorf, Stefan Nolte, Michał Olejarczyk, Ludger Overmeyer, Andrij Pich, Sebastian Platt, Felix Radtke, Roland Ramm, Silja-Katharina Rittinghaus, Richard Rothfelder, Johannes Rudloff, Mirko Schaper, Marie Luise Scheck, Johannes Henrich Schleifenbaum, Michael Schmidt, Jan T. Sehrt, Yvonne P. Shabanga, Alexander Sommereyns, Rabea Steuer, Layla Shams Tisha, Anastasiya Toenjes, Christopher Tuck, Adrian Vaghar, Bey Vrancken, Zhengze Wang, Sebastian Weber, Jan Wegner, Bai-Xiang Xu, Yangyiwei Yang, Duyao Zhang, Evgeny Zhuravlev, Anna R. Ziefuss   +73 more
wiley   +1 more source

Computational Inorganic and Analytical Chemistry

CHIMIA, 1994
Our research activity in computational chemistry at the university of Fribourg is briefly presented including topics like: Electronic structure calculation of coordination compounds, density functional theory, multiplet structure calculation ...
Claude Daul
doaj   +2 more sources

Novel Grafted Hydrogel for Iron and Ammonia Removal from Groundwater: A Synthesis and Computational Chemistry Study. [PDF]

Gels, 2023
Abd El-Salam HM, El Shafey AM, Samadi A, Abdel-Latif MK.   +3 more
europepmc   +1 more source