Chemistry
Meta user
Network profile
6,659
reputation
4
39
66

pentavalentcarbon

I am an ex-PhD student in theoretical chemistry.

84
answers
7
questions
~98k
people reached
  • Boston, MA, USA
  • berquist
  • Member for 7 years, 7 months
  • 2,344 profile views
  • Last seen Mar 27 at 14:05

Communities (23)

Top Meta Posts
4
15

Top network posts

Top tags (62)

Score 291
Posts 42
Posts % 46
Score 200
Posts 29
Score 96
Posts 19
Score 95
Posts 17
Score 84
Posts 11
Score 77
Posts 8
View all tags →

Top posts (91) All Questions Answers | Votes Newest

24 What are typical runtimes for CASSCF calculations? Jul 5 '16
21 How to calculate molecular dipole moment from a known wavefunction? Sep 19 '15
19 Is dipole moment a vector? May 18 '17
16 Creating energy profile diagrams for publication Jan 9 '16
15 What do these labels for molecular electronic states mean? Sep 5 '16
14 Is zero-point vibrational energy an intensive or extensive property? May 16 '17
13 Why does bond length decrease with increased basis set quality for SCF methods? Mar 6 '16
13 What does the format nF10.8 mean? Nov 14 '17
13 Is there any software package for quantum chemistry that includes CAMB3LYP? Jan 29 '16
13 Why are correlation consistent basis sets used with DFT calculations? Jun 30 '16
View all questions and answers →

Badges (109)

Gold

4

Rarest

Silver

39

Rarest

Bronze

66

Rarest

View all badges →