What is the dielectric constant of phosphoric acid?

I need to optimize few structures in a dielectric medium particularly in phosphoric acid. Can anyone help me with this ? I am unable to find the exact value of dielectric constant of phosphoric...

31 December 2016 4,610 2 View

How to calculate binding energy using Gaussian 09?

I have few systems and I would like to calculate binding energy for them using Gaussian 09 package. Could you please anyone suggest how to do it? Thank you so much in advance.

01 February 2016 6,115 13 View

How can I calculate how much is the charge transferred between ground and excited states?

Hi, I calculated total density cubes using SCF and CI methods for both ground and excited states. Now I would like to calculate the difference between those two because it gives the information...

01 February 2016 7,594 3 View

Frequency Job stuck in between without an error what might be the reason?

Basically we are trying to calculate the frequency for a particular system but it was stuck in between without showing any error. We are using Gaussian 09 package for our study. The following...

31 December 2015 3,930 3 View

Is there any way to calculate the Dielectric constant of a mixture of two solvents?

I would like to know the Dielectric constant of a mixture of two solvents. In order to optimize few systems in a particular dielectric constant to study the structural properties of few organic...

10 November 2015 8,501 5 View

Can anyone suggest a text book for NBO analysis?

03 April 2015 7,728 5 View

How can I optimize inorganic complexes?

10 November 2014 7,569 8 View

How do you specify the scaling factors?

10 November 2014 3,483 1 View

Will scaling factors affect the absorption spectra?

I am trying to get the absorption spectra for a few molecules but I could not reach the experimental value. Can anyone suggest what to do? (Please provide one or two references)

10 November 2014 8,575 4 View

How do we use scaling factors for the Gaussian calculations?

I am trying to optimize a basis set and a particular level of theory to reach the experimental results for UV-Visible spectrum. Can anyone suggest how to incorporate the scaling factors...

09 October 2014 7,310 5 View

Does any one know how i can prepare liver tissue with transmission electron microscope with good fixation?

i have problem in preparation of liver tissue with bad cell organelles and how i can adjust osmolarity

03 March 2021 8,890 1 View

I need to image mesoporous silica nanoparticles that are in ~100 nm size and do high resolution TEM to look at mesopores. what grids should I use?

Need to image mesoporous silica nanoparticles using the TEM. Also, need high resolution TEM images to see the mesoporous structure. Kindly suggest what kind of grids to use. Thanks, Shatadru

02 March 2021 1,787 2 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

Shall I skip the measurement model in SmartPLS?

Hello everyone, I had run a mediation model in SmartPLS using questionnaires that were already validated among my statistical population. A professor who edited my paper -though she is not...

01 March 2021 3,052 3 View

What is recommended for solid domain in ANSYS FLUENT?

Should I mesh the solid domain ? or should I use wall thickness? or Shell conduction? for Heat Transfer between two fluids of a Heat Exchanger. what is recommended?

01 March 2021 9,785 3 View

What is the most suitable server for predicting protein structures in bacteria?

I have used the i-Tasser several times, however it has been unavailable for several days. I tried the swiss-model, but the output was not very pleasant due to the model used. Is there any other...

28 February 2021 4,521 3 View

How can i resolve the "final solutuin is not converged" error in Comsol for my heat transfer simulation??

I have been trying to simulate heat transfer problem in Comsol 5.5 for long time but it always throw an error stating: "Failed to find a solution. Maximum number of Newton iterations...

28 February 2021 8,626 3 View

PUC19 as a transfer plasmid for lentiviral delivery?

Hello, Is it possible to use pUC19 as a transfer vector to be packed in using the second generation viral particles packaging system( pMD2.G; psPAX2 plasmids)? As far as I understand it there is...

28 February 2021 4,868 2 View

SEM or Multiple Regression for an analysis without Latent Variables?

Hello, I have three hypothesis to test, all with the same IV. I am testing if the effect of the IV on the first DV is mediated by awe. I am then measuring whether the effect of the IV on a...

26 February 2021 8,399 5 View

How to properly calculate the fluid solid heat transfer between polypropylene matrix and glass fiber in a porous medium?

I'm building a cfx model of thermoplastic pultrusion process on ansys and i have a doubt on how is the proper way to set this parameter in a porous medium

24 February 2021 1,915 1 View