Jayanta Bera

5 Questions 6 Answers 0 Followers

Questions related from Jayanta Bera

What is complex band structure?

Please someone tell me about the complex band structure of a 2D materials. How it differs from real band structure? Please refer me some books or documents of complex band structure.

10 October 2017 3,057 0 View

How can I find the crystallographic information file (CIF) for a Pentacene Crystal?

I need a .cif file of Pentacene crystal for a compututional study. If anyone have please send me. Or is there any way to make a .cif file?

07 July 2016 5,608 3 View

How to do MD simulation of pentacene molecule?

I want to do MD simulation for pentacene. I want to know the Radial distribution function of pentacene with different Temperature and pressure.So How can I do it? Which Software is suitable for...

07 July 2016 5,187 7 View

How can i calculate energy of a dimer?

Hi, I want to calculate the energy of a dimer using Gaussian 09. so what angle should i choose between two molecules and which parameter to use?

06 June 2016 4,946 1 View

How can i calculate energy of a naphthalene dimer?

I want to calculate total energy of a naphthalene dimer using Gaussian 09. i want to know what will be the angle between two molecules of naphthalene and distance of the center.

06 June 2016 8,503 0 View