Basis Set
Yes, they are similar - see my answer to your other question and see the wikipedia link that we have given you - you can figure out how many functions there are per atom and then compare the basis sets yourself!
How to calculate electron density of nano iron atom and sulphate ion in gas phase using DFT method in Gaussian?
03 April 2015 1,508 6 View
How to run the calculations using excited state of DFT level and CCSD(T) in Gaussian? As a example, HONO molecule; 1. How to command the excited state in the rout section in Gaussian? 2. What is...
08 September 2014 5,529 7 View
What are the differences between the basis set of 6-311G** and cc-pVTZ? Why we call the basis set of cc-pVTZ is more accurate than 6-311G** basis set? When we obtain the transition structure by...
02 March 2014 1,539 9 View
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02 March 2014 9,100 13 View
Hey there, As a synthetic chemist delving into theoretical calculations for my imidazolium-based organic molecules, I would greatly appreciate any guidance on the appropriate input instructions...
09 August 2024 5,444 7 View
I'm currently working on calculating the collision cross section (CCS) for various ions, and I'm facing challenges when dealing with sodiated and multiply charged ions. Most of the resources I’ve...
08 August 2024 8,329 0 View
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
Are there any statistical methods to justify your sampling technique using SPSS or AMOS?
05 August 2024 9,153 4 View
Better ways to analyze the qualitative and quantitative data in a sequential explanatory mixed method approaches
04 August 2024 2,703 6 View
Just bounced on me. Before statistically analysing significant difference, shouldn't we see if data fits normal distribution first? Is 3 replicates enough to testify the hypothesis of normal...
31 July 2024 8,141 13 View
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
I am currently working on a project involving liposomes and need to determine the maximum volume of siRNA that can be added to a 2.5 mL liposome solution with a total lipid concentration of 10...
30 July 2024 6,420 1 View
I am currently considering a research project focusing on a comparative analysis of starch metabolism in orchids and roses. I am particularly interested in identifying the types and quantities of...
30 July 2024 4,267 2 View
Can an analytical method's limit of quantification (LOQ) be outside its linear dynamic range, or is it always required to be within it? Please provide a thorough explanation supported by verified...
29 July 2024 7,198 9 View