How to use method annealing simulation in input file of siesta?

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How to calculate optical gap of germanium clusters from absorption spectrum ?

I have absorption spectra of germanium cluster but i don't know how to obtained the optical gap from this spectrum and can i use the touch plot method if yes how can i do this method ? I attach...

01 February 2019 9,812 3 View

How to calculate The cumulative absorption intensity A vis in the visible light region ?

The cumulative absorption intensity A vis in the visible light region, which is the integral of optical absorption spectra in the range of 400 to 780 nm. I have the absorption spectrum but I dont...

01 February 2019 3,893 1 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...

06 August 2024 1,495 2 View

If we are using snowball sampling technique, how do we justify the true representativeness of the sample statistically? is there any statistical test?

Are there any statistical methods to justify your sampling technique using SPSS or AMOS?

05 August 2024 9,153 4 View

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 4 View

What are possible strategies can be used to analyze data under sequential explanatory mixed method approach?

Better ways to analyze the qualitative and quantitative data in a sequential explanatory mixed method approaches

04 August 2024 2,703 6 View

How to start a Molecular Dynamics Simulation?

Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...

03 August 2024 3,371 3 View

Which will be the best software for the Hydration shell analysis with molecular dynamics?

I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?

02 August 2024 3,143 4 View

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 View

Why 3 replicates for most biological assays? Is it enough to examine the data fits normal distribution?

Just bounced on me. Before statistically analysing significant difference, shouldn't we see if data fits normal distribution first? Is 3 replicates enough to testify the hypothesis of normal...

31 July 2024 8,141 13 View

Request for Advice: Starch Metabolism Research Project?

I am currently considering a research project focusing on a comparative analysis of starch metabolism in orchids and roses. I am particularly interested in identifying the types and quantities of...

30 July 2024 4,267 2 View

Can the limit of quantification (LOQ) of an analytical method fall outside its linear dynamic range, or must it always be within it?

Can an analytical method's limit of quantification (LOQ) be outside its linear dynamic range, or is it always required to be within it? Please provide a thorough explanation supported by verified...

29 July 2024 7,198 9 View