Is it possible to specify fractional occupation numbers in Gaussian09?

11 February 2025 0 6K Report

Badges
Science topic

More Hiroshi Kawabata's questions See All

Can we mark 'EFL Learners shifting from general digital to AI technologies' as technological transition?

After COVID-19 it has seen that EFL learners technological affiliation has raised. In addition, in the post-COVID period learners started to engage AI technologies like ChatGPT while learning...

08 August 2024 8,964 4 View

How to generate a citation of my paper from ResearchGate?

How we can cite the papers from ResearchGate. I am trying to create citations for this article, Quantum Machine Learning Algorithms for Optimization Problems: Theory, Implementation, and...

08 August 2024 6,690 3 View

Does Anyone have expertise in in vitro transcription and RNA pull down assay?

I am currently working on LncRNA; to know the lncRNA-protein interactions I want to do RNA pull down assay, so I need to design primers with T7 promoter. I need assistance in this regard.

07 August 2024 6,622 1 View

How to fix background error in rietveld refinement of one XRD peak using GSAS-II?

I want to refine one XRD peak of my in-situ xrd but the background is never working good which ultimately fails the refinement. How to refine and adjust the background using GSAS-II

05 August 2024 5,291 2 View

How can I add own Henry coefficients in Aspen Plus?

Hi, i would like to simulate an absorption process in Aspen Plus. I want to use the NRTL model und would like to add some individual Henry coefficients. Is that possible and how?

05 August 2024 2,333 2 View

Why might the impedance values for DI water and 0.1X PBS buffer solution exhibit a decreasing and increasing trend, respectively over time (HP 4194A)?

Hello everyone, I'm encountering an issue with my electrochemical impedance spectroscopy (EIS) measurements and would appreciate some insights. Experimental Setup: Electrodes: Gold interdigitated...

05 August 2024 3,783 2 View

Can usage of AI tools like chat GPT in research work is recommendable ?

AI tools like ChatGPT can enhance research work significantly when used responsibly and in conjunction with thorough human oversight.

05 August 2024 1,842 3 View

Usage of internal standards in LC-MS/MS analysis?

Have you ever seen a LC-MS/MS method uses both internal standards and external standards (in matrix matching purpose) but the concentrations of internal standards are outside the calibration curve...

05 August 2024 3,084 6 View

ANY free software for reconstructing neurons in the microscopic image?

Hi everyone, I am working on brain slices for visualizing a protein in the soma and dendrites, using a fluorescence tag. However, I need a tool (not paid) for reconstruction of the whole neuron,...

04 August 2024 4,725 2 View

How effective is the Citi Bloc standard basket in enhancing the accuracy and comparability of international construction cost assessments?

Citi BLOC Standard Basket Definitions: A standardized unit representing a fixed basket of construction materials, labor, and equipment costs priced in various cities. Purpose: To create a common...

04 August 2024 8,997 1 View

The aqueous fraction of the hydroethanolic extract is showing the presence of palmitic acid. What is the mechanism responsible ?

Palmitic acid presence in aqueous fraction

05 August 2024 8,624 4 View

Help on understanding the implementation of Mori Tanaka method on MATLAB?

I am new to Micromechanics and having similar problem with understanding the implementation of the formula's. I would appreciate if anyone can guide me on how to go about getting a scalar value...

30 July 2024 969 0 View

Can we detect DOC fractions through LC-OCD for a sample containing Sodium Azide?

I did some column tests in my lab where I needed to detect the DOC fractions using LC-OCD. For the abiotic columns I used sodium azide to restrict the biofilm formation. I did LC-OCD to detect the...

07 July 2024 468 0 View

Which imaging and/or quantification techniques are best suited for identifying the multiple oxides in a thermally grown oxide scale?

Apart from XRD analysis, I want to know the other techniques used for identifying the oxide phases (even when a particular oxide is having very less volume fraction) present in a thermally grown...

14 June 2024 3,555 5 View

Is there way to remove apolar residue from glass in order to perform IR-MS?

I used a two-phase extraction protocol (essentially the Bligh-Dyer or Folch protocol) to fractionate C. elegans into aqueous metabolites, lipids, and protein. These worms have been fed bacteria...

11 June 2024 8,991 1 View

Replacement needle for brandel gradient fractionator?

Anyone know of a good replacement for the needle used to puncture gradient tubes on the brandel gradient fractionator? We use this system to fractionate sucrose gradients for polysome profiling,...

06 June 2024 8,323 0 View

Does the zirconium isotope fractionate as through the column?

Is the zirconium isotope of geological sample fractionated when passing through the column, and how to determine whether this fractionation is or not？

26 May 2024 6,721 2 View

What is the concentration in mL of glycerol and Equex Paste is required to dilute semen to a concentration of 1 x 10^6?

The semen concentration will then be diluted with fraction B (9% glycerol and 1.5% Equex Paste 13560-0008) at 50 °C to a final concentration of 1 x 106 spermatozoa/mL.

23 May 2024 9,071 0 View

Which algorithm could be the best for simulating fractional Gaussian noise with H<1/2?

I need to simulate fractional Gaussian noise with Hurst exponent approximately 0.3.

12 May 2024 6,347 0 View

What is the identity of this E. coli protein that ends up in the insoluble fraction/ inclusion bodies?

I am purifying different proteins that go into inclusion bodies when expressed in E. coli. When I purify my inclusion bodies I always find two bands around 37 kDa in my solubilized fraction. These...

06 May 2024 6,324 2 View