How can I do Configuration interactions only in Energy in Gaussian09 ?

More Olha Kovalenko's questions See All

What papers can I find on the subject "Using EduScrum in teaching Maths"?

I am working on a master's thesis on "Development of mathematical competences using EduScrum technology". I am interested in works on this topic.

20 November 2023 9,687 0 View

Reverse power analysis to calculate optimal sample size after regressions and mixed effects models?

Hi All, I have conducted a pilot study with a small sample (50ppts), 2 groups - intervention (n=34) and control (n=16), pre-post-follow-up design. I've done linear multiple regressions (similar...

19 November 2020 8,727 4 View

In which program can I model non existing molecule and calculate the bond length and angle?

I am preparing the series of pyroxenes M1M2T2O6, changing the atom at T site. There are known pyroxenes with Li(Na)FeSi2O6, Ge can be as well at the T site. I would like to prepare Li(Na)FeSn2O6,...

10 August 2020 10,060 4 View

What happens in an economy which has a firm size distribution with a power law exponent less than 1?

Dear community, Firm size distributions are often found to follow a Pareto distribution with a power law exponent near 1 (Zipf’s law). Following this literature, we estimate a Pareto distribution...

25 April 2020 1,408 3 View

Are there any study about affection of bilinguality on personality?

My friend told me that she had to read such study during her masters degree, but she can not recall the name and author. Something about bilinguality and bipolarity, how brain changes when using...

30 September 2017 1,519 3 View

Calculation of excited states in MOPAC

What keywords should I specify to calculate first four singlets and first four triplets? Can I calculate them simultaneously? If I write Root=3 Singlet I´ll obtain third singlet or all excited...

11 May 2017 2,801 2 View

Who works with HFSS? The graph S 2.1 is not reproduced after the project is saved. Who knows what the problem is?

It was visible right after the calculations, but after saving it does not respond. When creating new reports, you simply show an empty field without a single hint of the graph

21 March 2017 7,483 1 View

Why did IRC do only one step?

I began running IRC calculations from the optimized TS. Before starting irc I did frequency calculation which confirm that my Ts is stationary point and the first frequency is negative. But IRC...

29 November 2016 9,269 6 View

Cell line bank: questionable quality of cell lines

My laboratory needed 11 new cell lines for experiments. We decided to order from one of the Seoul cell banks. We obtained cell lines with supporting documentation. I need Hela cells for my...

01 January 1970 7,932 3 View

Which Scopus Journal provides the most affordable fees?

"PUBLISHING IN A SCOPUS JOURNAL" Researchers are now at a cross road. The critical need to publish in a Scopus or ISI, etc journal is ever vital. Journal Publication fees must be submitted....

10 August 2024 8,621 1 View

Seeking Advice on Viability and Execution of Undergraduate Thesis Topic?

Hello everyone, I am currently developing a thesis proposal and would appreciate your input on its viability and how to effectively carry it out. My proposed topic is: "Does the perceived threat...

10 August 2024 8,992 0 View

Who will be moral responsible for the death of thousands of people in the event of an earthquake?

Who will bear moral responsibility for the deaths of thousands of people in the event of an earthquake? Weeks and months remain before the onset of strong earthquakes that bring death to...

08 August 2024 6,134 12 View

GC-MS retention index prediticon?

Hello experts, Does anyone know any free software about retention index prediction ?

08 August 2024 7,403 2 View

How to calculate CCS for Sodiated adduct ions and Multiply Charged Ions?

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

Are there any instruments for studying time similar to the way it is in space?

There are a huge number of methods for studying objects in space, according to the senses (and not only). Mechanical, thermal, optical, acoustic, electrical, magnetic, based on particle beams,...

06 August 2024 7,102 0 View

In the case of a wound l recurrence after radical breast cancer and sentinel lymph node biopsy. Are the sentinel lymph node procedure recommended?

In the case of a wound l recurrence after radical breast cancer and sentinel lymph node biopsy. Are the sentinel lymph node procedure recommended? If no axillary lymph node dissection was not...

05 August 2024 8,056 1 View

How to use Density Functional Theory to calculate carrier mobilities of solid system?

Hello, everyone. I have tried to determine carrier motilities of some materials, by Density Functional Theory, using Quantum ESPRESSO. There are a few methods to do it, like a package called...

04 August 2024 8,894 1 View

Regarding a model for simulating battery charge and discharge, what do you consider to be high fidelity?

Regarding a model for simulating battery charge and discharge, what do you consider to be high fidelity? What is the acceptable percentage of error (regardless of the metric)? Could you suggest...

03 August 2024 5,358 0 View

Interested in a SCOPUS collaboration?

Hi RG family. My team and I are working on some SCOPUS publications and we need co-authors who are willing and capable of undertaking both qualitative and quantitative-based studies. The scope...

02 August 2024 7,843 0 View