Does gaussian ignore imaginary frequency while calculating thermochemical properties of transition state?

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How to evaluate the crystallinity density and amorphous density of a polymer blends by using dsc thermogram ?

Xc= (&-&a)/(&c-&a) and we have Xc 32% and &=0.91g/cc calculate the &a (amourphous density )= ? &c (crystalline density of polymer)= ?

19 January 2023 2,973 3 View

Is there anybody who has STATA or R do file to calculate Buy and Hold Abnormal Return (BHAR) and Calendar Time Portfolio Return(CTPR)?

Both BHAR and CTPR are standard methodology widely followed to measure the long run firm performance.

21 December 2022 8,822 0 View

Can anyone help me with a company/vendor name who does whole proteomic studies (either by iTRAQ or TMT) in India?

I need to do the proteomic profiling of some of my experimental samples. Please let me know if anyone has the contact number or email ID of such service providers. Thank you!

20 October 2022 10,023 0 View

I am searching for Barley cultivars which is susceptible to Pseudomonas syringae and resistant to Pseudomonas syringae. Anybody knows?

I am searching for Barley cultivars which is susceptible to Pseudomonas syringae and resistant Pseudomonas syringae, both the types. Barley means Hordeum Vulgare.

28 August 2022 533 3 View

Which buffer solution should I use to dissolve 6-FAM tagged oligonucleotide?

Hi everyone, Recently I am working on oligonucleotide. I have a fluorophore tagged DNA for my experiment. My DNA is tagged with 6-FAM at 3' end. It is suggested that FAM tagged DNA should remain...

28 April 2022 3,850 2 View

How to determine the digestibility of dietary essential amino acids in fish feed?

It is essential to know the digestibility of the essential amino acids in order to fulfil the optimum dietary requirement of any fish species through diet. So, please suggest any advance method...

21 October 2019 266 4 View

How to calculate the Wannier-Mott exciton binding enregies from the optical band gaps and the peaks in the PL spectra?

How to calculate the Wannier-Mott exciton binding enregies? We can measure the optical band gaps from UV Vis absorbance data and have the data for the peaks in the PL spectra. Please suggest some...

01 July 2018 9,970 3 View

What is Multifractal IDW interpolation method? Is this a ordinary IDW interpolated layer reclassifed by the results obtained from a fractal method?

I came across this term in a paper by A Lima 2003. Please make me understand the basic concept and how can I apply it in continuous field.

17 June 2018 1,329 0 View

Pathogenesis of TB spine?

Usually it is hematogenous spread from another primary focus. Is there any evidence to prove if there is particular tissue element with affinity to Mycobacterium tuberculosis like Staphylococcus...

03 February 2018 2,970 4 View

Does counterpoise correction not consider electron delocalization between two fragments if there is a possibility of electron delocalization ?

I want to calculate the complexation energy of two stacked aromatic system. If I use counterpoise correction then does it not consider non covalent electron delocalization (n to sigma* or pi to pi*) ?

02 January 2018 3,600 0 View

How do you delete a duplicate pdf for the same paper on ResearchGate?

The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.

07 August 2024 9,508 1 View

Where can I find free research instruments for Nursing?

for eg. transition shock scale

01 August 2024 5,998 0 View

What is the ionic radius of Hydrogen anion? And how to know the exact ionic radii of the elements?

I'm trying to calculate the tolerance factors of the hydride perovskite and the value calculated by me and the reported values are contradictory. Need more clarity in using the correct ionic radii...

01 August 2024 2,614 1 View

My frequency output shows no errors, however, there's no frequency as a result on gausview. Does anyone know what I'm doing wrong?

I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...

31 July 2024 631 4 View

How to change the version of the article full-text pdf file?

How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...

30 July 2024 3,229 2 View

Entropy measure and QSPR modeling in Graph Theor. How to construct the table for lengthy equation?

The entropy measured of molecular graphs plays a crucial rule. The network structures in some cases are very lengthy calculations to handle. Some author avoid to construct table where as most...

30 July 2024 3,126 0 View

Can a photocatalytic degradation of methylene blue from red mud be pseudo- zero order kinetics?

My photocatalyst from solid waste red med. Dye is methylene blue My all parameter study is showing zero order. How to prove it further that the reaction in zero order?

29 July 2024 7,404 1 View

How do I correct that wrong author's profile in my publication?

I am writing to request a correction regarding the affiliation of one of my co-authors, Donald Ho. Currently, the author's profile incorrectly lists an affiliation with The Hong Kong Polytechnic...

28 July 2024 6,824 0 View

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program?

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...

28 July 2024 9,165 2 View

How to determine method detection limit in an analytical method?

I know the difference between instrumental LOD and method LOD but my query is - in case of any sample whose concentration is zero or not detected by the instrumental LOD, is it possible to get...

24 July 2024 6,592 5 View