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.

09 October 2017 3,038 0 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...

06 July 2016 5,167 7 View

How can i calculate energy of a naphthalene dimer?

05 June 2016 8,473 0 View

How can i calculate energy of a dimer?

05 June 2016 4,910 1 View

Why Austenite grains in steel show much more twinning than ferrite grains?

It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...

02 March 2021 728 2 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

How to search for crystal structure for material with atomic position labelled?

I am using the crystallographic open database and materials project to search for cif file but the exact structure is not mentioned or how can I deduce that the given structure and atomic position...

23 February 2021 6,723 2 View

How to generate AA6061 alloy or any aluminium alloy crystal in material studio?

I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.

22 February 2021 1,410 1 View

Build an orthogonal box in ASE?

Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The...

21 February 2021 5,899 4 View

How can I make sure that BCTC doesn't fall out of solution/form DMSO crystals when treating cells?

I resuspended my BCTC as described on the bottle at 10mg/mL in DMSO. However, I can see the formation of crystals which I can only assume are DMSO and that the drug is precipitating out of...

14 February 2021 5,633 1 View

Do you know of an informal caregiver of a person who has recently received a bone marrow transplant?

We are conducting a pilot study of an intervention for informal caregivers of persons who have recently received a bone marrow transplant in the US. If you know of anyone who might be interested,...

13 February 2021 9,174 1 View

Is there a way to tell based on appearance which protein crystal should diffract the best?

I have had unheard of success with protein crystallography lately from a super successful protein expression and purification batch. I have attained a lately reproducible vast amount of crystals...

09 February 2021 5,155 5 View

Does Location Map of Informal Settlements in South Africa exist?

I urgently need a map that shows the point locations of informal settlements in South Africa. I am currently working on a study that seeks to relate protests location to the location of informal...

02 February 2021 4,113 7 View

What is the molecular size for crystal violet and reactive orange 16?

I am using methyl violet 10B and reactive orange 16 (RO16) dyes for my Ph.D. research. I'm trying to find the molecular size for both of these dyes. It is possible for me to find these dyes'...

01 February 2021 3,333 4 View