How to calculate adsorption energy?

Hi there, How to calculate adsorption energy for computational catalytic study if the bare catalyst, complex, and reactant are stable in different spin multiplicities? e.g., bare catalyst slab's...

02 March 2017 6,673 9 View

How to do sensitivity analysis?

01 February 2017 6,656 1 View

Should ZPVE also be added in the result of SPE?

Dear all, I got confused. I have optimized the geometry and calculated the SPE also on the optimized geometry. I think it's right (correct me if I'm wrong. I'm beginner). I saw one paper in...

31 December 2015 7,487 7 View

Phase Calculation in Gaussian 09?

I am beginner in Gaussian 09. Can it be possible to calculate the liquid phase calculation in Gaussian 09 instead of gas phase(as it uses to be default in G09)? Let's say I have any liquid and...

04 May 2015 7,741 1 View

Why am I getting only 1 transition state despite the fact that I'm incorporating QST2 in Gaussian 09?

whenever I have incorporated the QST2 or QST3 I got only one TS but I should have gotten 2-3 TSs in Gaussian 09. And how can I be assure that my result is in good agreement? I've seen that force...

03 April 2015 4,102 6 View

Can someone tell me how to incorporate the catalytic reactions in Gaussian 09?

If we want any catalyst surface in the reaction so how to make that in G 09?

03 April 2015 3,533 3 View

How do I increase the yield of my PCR product?

Hello, We would like to increase the yield of our PCR product. We are running a series of PCR reactions that is targeting ~1.1kb sequence. We begin each reaction with ~400pg of template DNA...

02 March 2021 4,029 3 View

PACYC PCR not working after several attempts. Would anyone have any suggestions?

So, I have been trying to run a pACYC PCR which will be used later on for a Gibson Assembly. However the PCR is not working. I have already tried gradient PCR and changing extension time; however...

02 March 2021 1,146 2 View

How to address this issue in the analysis of Real-Time PCR results?

To dear Researchers, I was analyzing a series of concentration for estimation of Real-Time PCR efficiency. The concentration was 1:10. I used MS-excel to evaluate Slope. The result of slope was -8...

01 March 2021 8,683 4 View

Runs of nucleotides in Sanger sequencing?

I performed site directed mutagenesis, transformation, and then I sent out plasmids for Sanger sequencing and found out that there is extension of DNA just before the stop codon. I am not sure...

27 February 2021 547 3 View

Can thermal cycler machines be problematic during PCR?

Hi, my question is about the heating of thermal cycler machines and I hope some of you had experienced a similar thing previously. There are two thermal cycler machines in the lab(BioRad) and for...

26 February 2021 4,777 4 View

Calculating volume of DNA required from DNA concentration?

Hi I am a bit confused. They are asking me to find out the volume of DNA required in ul (a total of 30-100 ng for genomic DNA) from the DNA concentration in the nanodrop reading which was 404.8...

26 February 2021 5,029 2 View

Could not amplify CD28 and CD3z ectodomain from cDNA of Jurkat Cells ?

For my experiments, I have to express ectodomains of human CD28 and CD3z. As a source, I extracted RNA from Jurkat cells and verified the quality of RNA on the gel. I, then, prepared cDNA using...

23 February 2021 7,051 4 View

Why does the sum of reaction forces not match the force component of a Free Body Cut in Abaqus?

I am using Abaqus to simulate a plate with in-plane loading. The boundary conditions allow the right edge to move up and down, the displacements on the left edge are fixed. There is no rotation...

23 February 2021 711 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

What effect does the large temperature difference between the two primers have on PCR, including real time PCR?

What effect does the large temperature difference between the two primers have on PCR, including real time PCR? If I did not get a result from real time PCR, is it possible that my problems are...

21 February 2021 4,094 7 View