How to Optimize Nanotubes using VASP?

I wants to optimize MoS2 nanotubes, I am using ISIF =2 and changing POSCAR using Selective dynamic option ie (0.25 035 078 F F T). I am not relaxing the ions in x and y direction.Is it correct...

01 February 2017 2,113 0 View

How to calculate Deformation Potential using vasp?

06 July 2016 8,851 0 View

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

Any research papers for extraction of nutrient deprivation on macroalgae? Analysed by HPLC-UV and GC/MS. Possibly from macroalgae genus Rhizoclonium?

I am doing my thesis on the nutrient deprivation on the macroalgae Rhizoclonium sp. I will be analysing the levels over a period of roughly 5 days by HPLC-UV and GC/MS. I will be using seawater as...

28 February 2021 6,477 1 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

Is there any published or unpublished statistics on dropout rate (Dose1 to Dose-2) for Covid-19 vaccination in India, US, UK or any other country?

Are there any published or unpublished statistics or papers on the dropout rate (Dose1 to Dose-2) for Covid-19 vaccination in India, USA, UK, or any other country where vaccination has started at...

28 February 2021 4,237 1 View

Steps to calculate activation energy by coats & redfern method?

I'm a chemistry student and I'm researching the kinetic degradation of mixed plastic waste. I'm having trouble calculating the activation energy by the coats & Redfern method. The data that...

24 February 2021 974 1 View

Any Differences in COVID-19 vaccines?

Are there any differences (outside of the clinical trials that led to their EUA) observed in the rate of infection among those who have received the Pfizer vs Moderna vaccine since the mass...

22 February 2021 9,727 6 View

How to find natural frequency of a bridge from vehicle induced vibrations?

i have frequencies of bridge that are effected by mass of vehicle. the problem is when any vehicle pass the bridge it would add the its mass to the bridge mass ultimately mass of the bridge will...

22 February 2021 10,004 3 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

Using the Pfaffl method: Is it possible that the ratio of the calibrator does not equal 1?

Hi all, I have a question regarding calculations using the Pfaffl method. I have 3 groups per experiment: 1 control group (calibrator) and 2 treatment groups with 6 to 7 biological repeats per...

19 February 2021 8,351 2 View

Did any urologists have experienced with retroperitonel leiomyosarcoma from renal vein with IVC enxtension?

Recently, we got one lady with right side retroperitoneal mass involving renal vein and extends into IVC upto diaphragm. CT suggested leiomyosarcoma. Right kidney separately seen from mass and it...

19 February 2021 6,873 1 View