Technical stuffs

SOFTWARE

Electronic Structure Calculations

• Gaussian: notes,
• Molpro: notes
• Methods: Martin's W1
• Procedures: CBS procedure
• Periodic Calculations
  • SIESTA,
  • VASP
  • WIEN 2k
• Thermodynamics
  • FANCY (internal)
  • http://webbook.nist.gov/chemistry/grp-add/ga-app.shtml
  • http://webbook.nist.gov/chemistry/form-ser.html
  • http://rmg.mit.edu/molecule_search
  • http://cactus.nci.nih.gov/translate/
• Rate constants
  • ChemRate, technical notes
  • Multiwell, technical notes
  • MultiWell-MultiChannel, technical notes
  • Variflex, technical notes
• Reaction Simulation
  • Kintecus
  • Chemkin
  • http://www.kintecus.com/
  • www.chemkin.com
• Composite
  • Avisto
• Communication
  • Desktop recording
  • Desktop sharing: TeamViewer
  • Meeting scheduler: Doodle
  • Remote access: MobaXterm, puTTY
• Unclassified
  • Molecular structure: ChemSketch, cDraw
  • Apparatus: ConceptDraw*| Chemix(free)| Edraw
  • General objects: ConceptDraw

PROGRAMMING

• Automated Documentation Generation: Doxygen*
• Debugger: valgrind*, totalview
• Repository tools:
  • Git Extensions
  • https://github.com/
  • https://bitbucket.org/

OS

• Linux/Unix

DATABASES

• NIST Chemistry WebBook | NIST/TRC Web Thermo Tables
• Burcat's Thermodynamic data

DOWNLOAD PAPERS/BOOKS

• http://gen.lib.rus.ec/
• http://gen.lib.rus.ec/scimag/
• Theses and Dissertations

AUTHOR/REVIEWER CENTER

• ACS, https://acschemworx.acs.org

WRITING

• https://titlecase.com/

CLASSES & SHORT-COURSES

OpenCourseWare: MITOpenCourseWare | OpenCourseWare@UC, Irvine | https://www.coursera.org/ | https://www.edx.org/

https://www.udemy.com/courses/ | https://www.khanacademy.org/

Quantum Chemistry

Molecular Spectroscopy

• http://www.pci.tu-bs.de/aggericke/PC4e/: A very good website on molecular spectroscopy

Thermodynamics Calculations

• Thermodynamics and Chemical Dynamics @UC-Irvine

Miscellaneous

• HyperPhysics
• "There Are No Bonds - Only Bonding!" by Richard F.W. Bader
  • The world of quantum theory of atom in molecule. It's a useful lecture on way to understand electronic structure of chemical systems based on quantum theory.
• Symmetry tutorial
• Symmetry in Organic Chemistry
• Introduction To Thermodynamics, Kinetics, And Statistical Mechanics (U of Minnesota)
• http://chemwiki.ucdavis.edu/