I am an ex-PhD student in theoretical chemistry.
Boston, MA, USA
Member for 8 years, 3 months
79 profile views
Last seen Jul 4 '18 at 2:38
Top network posts
- 25 What are typical runtimes for CASSCF calculations?
- 21 How to calculate molecular dipole moment from a known wavefunction?
- 19 Is dipole moment a vector?
- 17 Creating energy profile diagrams for publication
- 16 What do these labels for molecular electronic states mean?
- 15 Why are correlation consistent basis sets used with DFT calculations?
- 14 Is zero-point vibrational energy an intensive or extensive property?
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