How to specify multiplicity and total charge in Ni(ii)complex using Spartan computational software?

How to specify multiplicity and total charge in Ni(ii)complex using Spartan computational software

06 July 2017 6,694 0 View

Does varying the excitation wavelength affect the emission wavelength?

I excited a fused aromatic conjugated naphthalene-based system from 240-360 nm and the emission bank was continuously red shifted from 500-800 nm. The absorption maximum is around 360 nm.

04 May 2017 3,468 3 View

How do we specify the dielectric constant of a solvent not listed in the Gaussian 2009 program?

We are using Gaussian 09 to calculate the properties of a system in different solvents. Could someone please help out?

08 September 2015 3,668 4 View

What could make an absorption undergo red shift, then blue shift, as solvent polarity increases?

a band in uv/vis computational spectrum undergoes a red shift then a blue shift with increasing solvent polarity. its oscillator strength is >0.1

03 April 2015 4,763 5 View

What could have been the reason that the Spartan 14 trial version expired abruptly?

I requested for the trial version of Spartan 14 software activation code and was able to activate the program, but the activation expired in 5 days. What could have been the possible reason?

02 March 2015 6,145 0 View

How can I recover my Schiff base crystal after it has been oxidised?

it was kept in ethanol for almost a month and the crystals turned black

31 December 2014 8,041 3 View

Can I get a free software that can open a raw .sp or .spc UV-Vis data on a personal Windows computer?

Apart from the processing softwares that come with UV-Vis spectrophotometer, are there other free downloadable softwares that can open and process raw .sp or .spc data?

01 January 1970 1,509 1 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

Can I download BibExcel for MacOs?

Hi everyone, I would like to ask how I can download BibExcel software for MacOs? There are some links which are supported by Windows but I could not find it for Mac. or is there any other software...

01 March 2021 652 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

Anyone with some Transgenomic Wavemaker software? Seeking help from the chromatography community?

I am trying to seek out some Transgenomic Wavemaker software (happy to purchase a computer too) to operate a fraction collector. The only way to connect to the fraction collector so far is to...

23 February 2021 9,181 1 View

Best excel chart to compare algorithms' running time?

Hi I want to compare the running time of robotic path planning algorithms. The grid size is 8X8. I have 100 scenarios of start and goal positions.. Each scenario is run in three obstacles ratio...

22 February 2021 621 1 View

Interpretation of Goodman - Kruskal Gamma squared?

Dear colleages, Eta squared is dominantly used in reflecting the explaining power the same manner as a squared partial correlation coefficient (R2p ) from multiple linear regression: as the...

22 February 2021 7,801 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

How to open an old ".MTS" file containing spectroscopic data?

Hi supreme hive-mind of the internet, we have some old *.MTS files that are supposed to contain spectroscopic data, probably some coordinates and a long list of single line spectra. Basically,...

16 February 2021 9,385 2 View

Room Occupancy Calculation ?

15 February 2021 1,997 6 View