How to calculate penetration depth of X-ray in XRD analysis?

We have done angle dependent GIXRD in ZnO thin film samples. I want to calculate the penetration depth of X-ray at 0.5 degree glancing angle.

29 October 2019 430 5 View

Why the relaxed structure got distorted ??

06 February 2019 4,281 5 View

Is it possible to make an interface between hexagonal and tetragonal lattice structures ?

I want to create an interface (stack) between Graphene and TiO2 unitcells. As we know that the graphene has hexagonal lattice structure and TiO2 has tetragonal one, is it possible to make the...

11 December 2018 7,100 2 View

What are the generally employed methods in order to simulate the intensity of 'Double Ionization' photoelectron spectra of a molecule?

The intensity of ionization spectra can be approximated by Franck-Condon Factors (FCF), Dyson norms etc. As far as I know they are mostly used in single ionization PES. I was wondering is there...

23 October 2018 5,600 2 View

Can anyone please help me to solve the problem regarding transiesta run at higher bias points ??

Dear Experts, I am using transiesta code to get the I-V characteristics of a 2D structure (defected AGNR sheet). All the calculations (electrode, transiesta and tbtrans) run perfectly for some...

21 May 2018 4,998 4 View

Grouting or adhesive material suitable for fixing pvc polymer and fired clay ceramics?

I am looking for a grouting or adhesive material which can be used to fix a pvc pipe with a fired clay ceramics. The fixing should work as a leak proof under water.

16 April 2018 1,318 2 View

I want to electrodeposite metal oxide, say MnO2 on a Carbon current collector.What are the different techniques?

I want to electrodeposite metal oxide, say MnO2 on a carbon current collector.What are the different techniques? How to decide the potential window for the electrodeposition? I have consulted...

04 March 2018 6,313 3 View

How the functional groups of reduced graphene oxide effect the electrochemical performance of a supercapacitor in ionic liquid electrolyte (EMIMTFSI)?

08 September 2017 5,026 4 View

Is there any specific class interval for dbh in girth class of tree?

27 June 2017 7,379 1 View

In one of my Western blot results all my protein bands (33- 57 kDa) appeared at the top (protein marker was fine) 175 to 270 kDa. Reason?

I guess that the reducing sample buffer might have expired so that the b-mercaptoethanol is no longer stable which in turn did not result in reduction and the proteins could not migrate properly...

21 May 2017 1,151 5 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

12% ledeburitic cold work tool steel, etched for revealing retained austenite, any help for clarifying?

Hello everyone. Given microstructure image belongs to a 12% ledeburitic cold work tool steel (annealed and tempered). The sample was etched with picral (100 mL ethanol and 4 g picric acid). I...

02 March 2021 4,119 3 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View