Chemical Forums

Please login or register.

Login with username, password and session length

Sponsored links

Pages: [1]   Go Down

Author Topic: How can I get the Voronoi Integral in DFT calculation using Gaussian 09?  (Read 236 times)

0 Members and 1 Guest are viewing this topic.

adhikary

  • Regular Member
  • ***
  • Mole Snacks: +0/-3
  • Offline Offline
  • Gender: Male
  • Posts: 20
  • Philosophy is dead, Science is the only solution.

Recently I am trying to work on metal based organic complexes to find out catalytic characters. I am using B3LYP level of theory in Gaussian-09. I need to know the possible Keywords for getting effects of Voronoi Integral where I use the Empirical Dispersion = GD3 into the input line. This is not a cluster but central metal atom is Fe. Can anybody suggest me or help me in this regard? Advance thanks are there for your kind assistance.
Logged
Keshab K. Adhikary
Department of Chemistry
253, Yong Hyun Dong, Nam Gu.
Inha University
Incheon 402-751; S. Korea

Pages: [1]   Go Up
 

Mitch Andre Garcia's Chemical Forums 2003-Present.

Page created in 0.061 seconds with 23 queries.