Gajalakshmi Duraikannu

7 Questions 15 Answers 0 Followers

Questions related from Gajalakshmi Duraikannu

Can a Molecule with high magnitude dipoe moment be a deciding factor for optoelectronic and anti corrosion applications?

Theoretical modelling of pyrrole moiety showed higher dipole moment than conventional value. Will this decides the pyrrole molecule as good canditate for optoelectronic and anti corrosion...

08 April 2020 9,108 0 View

What could possibly be a lead compound in plants?

Dear experts, I am new to natural products. so I would like to know whether the lead compound is always an alkaloid or it could be a flavonoids, terpenoids etc. Thank you well in advance !!!

28 March 2017 5,258 4 View

What is the composition of composite materials to be ? What if it were a bio composite material?

Dear experts, I would like to know What are the major composition of composite materials. A bio composite material should be free from chemicals or there may be some chemical added to enhance its...

06 February 2017 3,635 6 View

How to rectify error in autodock?

Dear experts, Im trying to do docking study using autodock4. Being a newcomer to this field, i face difficulty in rectifying the errors. Kindly help me to sort this error in the attached log file.

16 November 2016 7,218 13 View

Software to read IR out files from gaussian

Dear RG members, Is there any free ware to simulate the IR resulats obtained from gaussian

14 November 2016 4,981 3 View

How to simulate IR spectra?

Dear RG members, I am trying to simulate IR spectra. Could you provide me some details regarding the free ware to simulate IR from the gaussian output and what is the keyword to be used for...

10 November 2016 7,099 2 View

How can I compute the reorganization energy for a molecule?

I'm interested in analysing the electronic properties of old materials , can any one help me to calculate the reorganization energy.

07 November 2014 9,099 4 View