How to displace a molecule along a particular normal mode?

I am using gaussian09. I want to calculate triple derivative at the minimum of potential energy surface of acetone to get the cubic anharmonicity constant. For that I need to do energy...

13 August 2019 560 6 View

How to get anharmonicity constant value from gaussian? Also what theory is encoded in software to calculate anharmonic frequencies?

I have done anharmonic frequency calculations in Gaussian09.(for acetone). At the end of the output file I can see the anharmonic frequencies. I do not see anharmonicity constant value(for...

21 July 2019 4,072 5 View

Why there is no change in energy of Hydrogen(atom) when field is applied using gaussian software compared to when no field is applied?

I have done SCF calculation for hydrogen atom and in the second job I did the SCF calculation on hydrogen atom with field of 0.05 a.u in a particular direction, but there is no change in energy...

11 July 2019 1,542 2 View

How to remain antibody binding affinity after cross link to protein A resin?

To avoid this problem, I was thinking different ratio of antibody and protein A might help..., but is too saturated antibody in protein A resin? or less antibody in protein A resin? can help...

19 December 2018 8,489 7 View

To What IR drop in Charge discharge curves leads to?

electrochemistry in supercapacitor

16 April 2017 1,613 3 View

How to prepare stable colloidal solution for nano-particle powder zeta potential measurement?

06 October 2016 951 3 View

Why can't make aluminum nitride film successfully by use sputter?

We use reactive sputtering process to make aluminum nitride film, and want to make c-axis aluminum nitride film on a silicon substrate, but the crystal orientation cannot be seen with...

03 March 2021 7,975 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

How to check the uv-vis absorption of nanoparticle by surface plasmon resonance?

I try to check the uv-vis absorption of Indium nanoparticle. Now I am measuring in solution, can I measure it in the form of a film?

01 March 2021 930 3 View

1 nm thick MgO thin-film to be deposited on Si wafer using thermal evaporation. What will be the optimum deposition conditions?

Favourable conditions of base pressure, rate of deposition. Also, by which characterisation technique to be used to verify the thickness of the deposited film.

28 February 2021 3,640 3 View

Stress/strain tensors decomposition ???

25 February 2021 6,760 1 View

How to prepare a thin polymer film by post-polymerization/crosslinking?

24 February 2021 2,362 5 View

How to delaminate copper in water-based anodes?

Hello everyone, I'm looking for a way to delaminate copper current collector of water-based anodes in Li-ion batteries without damaging the graphite film. I tried different materials such as HNO3...

24 February 2021 3,785 3 View

Is is possible to pole with corona poling pellets of the sample material instead of thin films?

As it is highly probable that pellets will have a higher degree of air gaps and voids than thin films, is it possible to pole the samples with corona poling nevertheless? Or is there the...

24 February 2021 1,349 1 View

How to indicate the degree of litter decomposed by microbes?

Any technique could detect the degree of litter decomposed by microbes? Or any indexes could do this job? I want to split the contribution of microbes during decomposition, so any suggestions...

23 February 2021 1,362 5 View

In frequency domain alpha band(8-16hz), beta band(16-32hz), gamma band(32-64hz), sub-band(64-128hz) are same as LL,LH,HL,HH in wavelet decomposition?

I am working on single trial motor imagery data i.e. EEG data. I am following a paper which has a dataset from BCI challenge IV (dataset 2b). After removing noise and extracting all the data from...

23 February 2021 5,503 1 View