Results 161 to 170 of about 4,431,399 (381)

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

, 2001
Shu‐Kun Lin
openalex   +1 more source

Environmental Impact Assessment of Copper‐Alloy Production Using Process Simulation and Semantic Modeling

Advanced Engineering Materials, EarlyView.
In the current research, how environmental impacts of products can be tracked through complex production networks using semantic data and environmental impact calculations is demonstrated. Here, the example of secondary copper production and the subsequent production of copper alloys is discussed.
Mohsin Sajjad, Karl Gerald van den Boogaart, Leon Steinmeier, Ashak Mahmud Parvez   +3 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

Stratospheric chemistry computations. [Ozone column densities]

, 1975
J. Zinn, C.D. Sutherland
openalex   +2 more sources

Comparative Wear and Friction Analysis of Sliding Surface Materials for Hydrostatic Bearing under Oil Supply Failure Conditions

Advanced Engineering Materials, EarlyView.
Hydrostatic bearings excel in high‐precision applications, but their performance hinges on a continuous external supply. This study evaluates various material combinations for sliding surfaces to mitigate damage during supply failures or misalignment and to discover the most effective materials identified for enhancing the reliability and efficiency of
Michal Michalec, Lukáš Daněk, Jan Foltýn, Petr Svoboda, Carsten Gachot, Martin Hartl, Ivan Křupka   +6 more
wiley   +1 more source

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

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

KupferDigital: Ontology‐Based Digital Representation for the Copper Life Cycle

Advanced Engineering Materials, EarlyView.
It is demonstrated how data from different stages in the life cycle of a copper product can be stored in an ontology‐based data space. In order to showcase the methods and tools used in the project, four use cases are presented that show how data from different sources can be semantically described and queried from a shared data space.
Miriam Eisenbart, Thomas Hanke, Felix Bauer, Hossein Beygi Nasrabadi, Kurt Junghanns, Gordian Dziwis, Ladji Tikana, Ashak Mahmud Parvez, Karl Gerald van den Boogaart, Mohsin Sajjad, Valerie Friedmann, Johannes Preußner, Anantha Narayanan Ramakrishnan, Sandy Klengel, Lars‐Peter Meyer, Michael Martin, Ulrich Ernst Klotz, Birgit Skrotzki, Matthias Weber   +18 more
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

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