Creating a 3D Printer Molecular Orbital Model byMOPAC Calculation of Winmostar
نویسندگان
چکیده
منابع مشابه
Colorimetric characterization of a 3D printer with a spectral model
Abstract As 3D printing becomes an increasingly popular technology, knowledge of the processes employed by a printer becomes more important. In this paper, one particular printer, the Zcorp Spectrum Z510, is studied in terms of its color production. Two approaches to a spectral model are evaluated in terms of their ability to predict output colors of the printer based on input RGB values. The m...
متن کاملUse of a 3D printer to create a bolus for patients undergoing tele-radiotherapy
Background: This study describes the possibility of implementing three-dimensional printing technology to create a precise construction of a planned bolus, based on computed tomography information stored in the Digital Imaging and Communications in Medicine (DICOM) format file. Materials and Methods: To create the bolus with a 3D printer, we converted data in the DICOM format to the s...
متن کاملThinking like Archimedes with a 3D printer
We illustrate Archimedes’ method using models produced with 3D printers. This approach allowed us to create physical proofs of results known to Archimedes and to illustrate ideas of a mathematician who is known both for his mechanical inventions as well as his breakthroughs in geometry and calculus. We use technology from the 21st century to trace intellectual achievements from the 3rd century ...
متن کاملEnergy gradients in combined fragment molecular orbital and polarizable continuum model (FMO/PCM) calculation
The analytic energy gradients for the combined fragment molecular orbital and polarizable continuum model (FMO/PCM) method are derived and implemented. Applications of FMO/PCM geometry optimization to polyalanine show that the structures obtained with the FMO/PCM method are very close to those obtained with the corresponding full ab initio PCM methods. FMO/PCM (RHF/6-31G* level) is used to opti...
متن کامل3D-printer visualization of neuron models
Neurons come in a wide variety of shapes and sizes. In a quest to understand this neuronal diversity, researchers have three-dimensionally traced tens of thousands of neurons; many of these tracings are freely available through online repositories like NeuroMorpho.Org and ModelDB. Tracings can be visualized on the computer screen, used for statistical analysis of the properties of different cel...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2017
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.2016-0046