Turbasu Sengupta

5 Questions 96 Answers 0 Followers

Questions related from Turbasu Sengupta

Difference between radicals and Ligands?

I definitely know the difference between ion and radicals. The question is what is the difference between Ligands and Radicals? Are Radicals can be considered as Ligands in specific cases? In the...

07 July 2016 4,982 9 View

Is there any database available for the band gap of d block elements?

Hi, Can anyone provide any link or complete database about the band gaps of pure d block elements from Sc to Zn. Thanks in advance.

08 August 2015 2,209 3 View

Does any one has the database of cohesive energies of aluminum with transition metal alloys?

Hello, It will be really helpful if someone can provide whole database (experimental or theoretical) of cohesive energy/atom for the alloys of aluminum and first row d block elements(Sc-Zn). In...

07 July 2015 385 0 View

How can I correctly get vibrationally-resolved electronic spectra in gaussian ?

Recently I'm trying to get vibrationally-resolved electronic spectra for a series of molecules using 3-step methods described by "Vibrationally-resolved electronic spectra in GAUSSIAN 09 by V....

04 April 2015 8,559 4 View

How can one perform a symmetry constrained optimization in gaussian?

I need to optimize a molecule using gaussian which should strictly follow Td point group from start to finish but it seems that halfway during optimization the molecule loses Td point group and...

01 January 2015 3,721 12 View