Is Gaussian 16 capable of doing scalar relativity correction, and if so, to what extent can it be relied on?

07 February 2023 0 6K Report

I need to optimize close shell transition metal complexes comprising Pd and Pt. Because they are the second and third row elements, we can expect spin orbit coupling, which requires relativity correction. Is Gaussian 16 capable of doing scalar relativity correction, and if so, to what extent can it be relied on?

Badges
Science topic

More Sohail Hamid Dar's questions See All

How can I know the stationary phase of growth of several bacteria?

How can I know the stationary phase of growth of several bacteria? We are aiming to collect exoproteome of several bacteria. We know that the ideal time to collect exoproteome is during the...

31 January 2021 4,528 10 View

Is there any procedure or an equation for converting total carbon to organic carbon or any equation that helps to obtain the value?

I have analysed percentage carbon (total) using CHNS Elemental Analyzer for the forest soils. Now, I would like to obtain SOC content from the obtained value for which I am looking for a procedure...

29 January 2021 5,551 8 View

Anyone knowing any software for scientific graphs plotting?

I need some help

03 December 2020 6,794 6 View

How to interpret the following contour plot?

Hi. I am new to Countour plots. I need help with the understanding of the following contour plot. If someone can explain, please.

10 November 2020 3,710 1 View

Qiagen DNeasy vs QIAquick spin column?

Dear Fellows I wanted to confirm if I can use spin columns of QIAquick PCR purification kits for DNA extraction. We finished our DNeasy columns but still have reagents. And we have extra QIAquick...

03 November 2020 6,960 3 View

Any good references for writing a master thesis for new business idea?

I am a Masters's student and I want to write my Master Thesis for a new business idea/startup. I have been searching for references that I can use as a guide to starting my thesis proposal and...

18 October 2020 9,820 2 View

Crustal Modelling by Gravity and Magnetic Data?

Dear Researchers, What are the Convenient methods for Crustal Modelling using Gravity and Magnetic Data?

20 September 2020 8,977 3 View

Which method is suitable for transgenic plant development: In-planta transformation or tissue culture-based transformation?

13 September 2020 7,717 11 View

Transmission electron microscope (TEM) service available in India?

I want my biological sample to be analysed using TEM as we don't have that instrument. So can anyone suggest any institution or lab that provides cheap TEM experimental service in India.

10 August 2020 3,807 3 View

How to find Slow and Fast light?

I am facing a problem to calculate the Slow and Fast light using Matlab. Can some share a simple code for Slow and Fast light. Thanks Xie Xie Danke.

13 June 2020 3,955 2 View

Do anyone here can help us in the field of molecular docking?

We have synthesized various metal complexes with different environment around the metals. Now to see the application of synthesized complexes we need this study also. we are also interested in...

01 March 2021 1,899 2 View

Timeout error!! Processor in the loop (PIL) using STM32F4 Matlab 2018a?

Dear Researchers I am trying to perform a PIL simulation using STM32F4 Discovery board and comunication serial USB TO TTL. During simulation I receive the following timeout error: An error...

01 March 2021 2,327 1 View

How to separate water from glycerol solvent in a solvent recovery vacuum distillation column?

I am currently doing my third year design project. I have been assigned to design a glycerol recovery column in vinyl acetate monomer production. The process unit before the recovery column is an...

01 March 2021 9,525 4 View

What is the state of the drug inside solid lipid nanoparticles (SLNs)?

I am a little confuse with the mechanism of solid lipid nanoparticles (SLNs). The main point of encapsulating drugs into SLNs is because some drugs have low solubility in water. Therefore, SLNs...

01 March 2021 3,703 3 View

Where can I find atmospheric measurement profiles (temperature, density, etc.) between 300-800 km altitude?

I am investigating thermospheric mass density profiles between 300-800 km altitude. I would like to compare the variability with other parameters, including temperature, electron content,...

01 March 2021 5,902 3 View

Why is the sum of the elements in a row in a Q matrix equal to zero?

When explaining substitution models, the substitutions are expressed as Q matrix. Why is the sum of the elements in a row zero?

28 February 2021 3,864 3 View

Distribution of particles in metal matrix?

How would define the "good" and "poor" distribution of particles within the matrix. Is there a quantitative solution to assess the distribution of the particles, which then having denotation of...

28 February 2021 7,397 8 View

Can anyone help me with the administration of the "Mind the Gap" Scale for satisfaction with transition to adult care?

We are working on a study focused on adolescents' transition to adult care and are looking for a validated measure for satisfaction with the transition. So far the only measure that we have came...

28 February 2021 2,338 1 View

Which transition metal salt precursor is best for doping? Why?

I would like to synthesize a transition metal doped TiO2 via solgel method. Hence, I would like to know which metal salt precursor to choose among Chloride, Nitrate, and Sulphate. A clear...

27 February 2021 4,285 3 View

Does different dilution factors affect negatively on NH3 reading ?

I have a sample of treated water sample & asked to obtain ammonia conc. in sample using a machine with 5-25 ppm detection range. However, upon testing with different dilution factors, all...

27 February 2021 8,483 3 View