Error in generating Hirshfeld surface?

I have tried to generate hirshfeld surface for an organic molecule. It consists of an water molecule in its crystal lattice. While am trying to generate the surfaces, it shows the following error....

03 April 2018 8,427 2 View

Need assistance in Emission calculation (Gaussian09)?

31 December 2016 5,439 6 View

Can anyone tell me the effective and recent standards for the antibacterial and antifungal screening? (In vitro)

I want study the antibacterial and antifungal studies for my synthesized compounds. So i want to know which standard good for this? (In vitro)

04 May 2016 4,073 8 View

No title

I get these transitions from my NBO analysis and how these transitions are possible. In some publications itself these transitions are listed and i am very much confused. In UV only four...

03 April 2015 8,837 9 View

How can I scale down the unscaled frequencies using proper scale factor?

I am using single scale factor to scale down the whole frequencies of the molecule depend on their basis set. It is good one or there is any list of scale factor applicable for particular...

03 April 2015 9,795 5 View

Why does the second lone pair of electrons in an oxygen atom always show higher perturbation energy in NBO analysis?

03 April 2015 1,880 4 View

I got 02 moderator values defining Johnson-Neyman significance regions. Is it an error?

Hi everyone, I am conducting research for my Master's thesis. I am using PROCESS by Johnson-Neyman to analyze my Moderator model. I test the relationship between Public Service Motivation and...

03 March 2021 2,350 2 View

Chlorinated organic formation in odor control scrubbers using hypochlorite?

I'm involved in a study of odor control technologies for municipal wastewater treatment plant. One of the control options involves a chemical 2-stage (acid/alkaline) packed bed scrubber. The...

03 March 2021 3,661 2 View

What analysis to choose with a large neste dataset and clearly skewed or kurtotic distributions?

Hello! I have a dataset of n=3000 nested within 8 countries with approximately 200 or 400 responses in each country. I originally planned to perform multilevel modelling with 4 dependent variables...

02 March 2021 6,865 1 View

Ester cleavage conditions?

Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...

01 March 2021 8,766 3 View

Is it necessary to report effect size (ES) in statistics of biomedical research given that we already report p values routinely?

Pls share your thoughts

01 March 2021 7,330 4 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

RIA. How to measure?

When you use RIA, with a control the unknown sample with antibodies, you bare in mind the binding sites of the antibodies. However you still need to measure labelled antigen (radioactive) and not...

28 February 2021 2,133 3 View

How to Eliminate cosine error and abbe error in LASER measurement system(for example Rhenishaw XL80)?

I like to do project in laser measurement system. My objective is to eliminate or reduce the cosine error, abbe error in Laser measurement system. I have Rhenishaw XL80 system. Please tell the...

28 February 2021 4,890 3 View

How to measure angle between laser travel path and machine axis in Laser Measurement system?

25 February 2021 1,987 3 View

How can we theoretically calculate Elemental analysis(percentage) of atoms in covalent organic framework?

For example in one research article the Elemental analysis values of COF-TpPa-1 ( Triformylphloroglucinol (Tp) (63 mg, 0.3 mmol), Paraphenylenediamine (Pa-1) (48 mg, 0.45 mmol) are as follows...

24 February 2021 1,265 6 View