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Group Members


Research Description


Publications

Classroom Material

Principal Investigator

Useful Links

Structural Refinement and Modeling
VESTA
Crystal Maker - Structure Modeling

ATOMS - Structure Modeling
JCrystalSoft
WinGX GUI
GSAS Homepage

GSAS II

Electronic Structure Calculations
Vienna Ab-Initio Simulation Package
Quantum Espresso

ABINIT
CAESAR and SAMOA
A List of Quantum Chemistry and Solid State Physics Software

Jmol: Java viewer for Chemical Structures in 3D
J-ICE: Jmol Interface for Crystallographic and Electronic Properties
XcrysDen

NC State Univeristy - High Performance Computing Center

Crystallography Databases
Crystallography Open Database
Cambridge Crystallographic Data Center - Web access

American Mineralogist Crystal Structure Database
Mincryst
Mineralogy Database
Database of Zeolite Structures

Scientific Literature Databases
Scifinder Scholar - Campus Version (via Unity Login)
Web of Science


Educational Resources

Lecture notes (P. Woodward)
Materials/solid-state kits and activities

Video demonstrations
Polyhedral model kits
Crystallographic Space Group Diagrams and Tables

Tutorials
X-ray diffraction tutorials (MIT)
Symmetry, Structure, and Tensor Properties of Materials (B. Wuensch)
Molecular and Solid State Physics (Graz Tech)
Principles of Semiconductor Devices

Journals
Angewandte Chemie
Advanced Materials
Chemistry of Materials
Inorganic Chemistry
Journal of Alloys and Compounds
Journal of Materials Chemistry
Journal of Solid State Chemistry

 

 

 

 

 

 

 

 

 

 

 

Department of Chemistry
North Carolina State University
2620 Yarbrough Drive, 740 Dabney Hall
Raleigh, NC 27695-8204
Phone: 919-515-3616; Fax: 919-515-5079