How to obtain Coulomb and Exchange energies?

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How to write an input file to perform SCS MP2 calculation on Gaussian?

Your response is very appreciated.

06 July 2018 3,144 3 View

What is your successful method of teaching?

Among different methods for teaching, which method do you find effective?

01 February 2018 3,410 43 View

What is the major reason behind humans' superiority?

Human's brain/mind or human's hands or language: which one is the decisive factor that makes humans superior to other animals? Thanks in advance for your opinion

31 December 2017 6,213 12 View

Why do we sleep? what science tells us about the need for sleep?

A third of a human life is dedicated to sleep. The body repairs tissues and performs other maintenance activities during sleep. However, many organisms don’t sleep at all, so why do we?...

31 December 2017 4,092 23 View

Is Ignorance Bliss?

Aristotle’s said: “All men by nature desire to know.” But do you agree that our pleasure (or happiness) depends on ignorance?

31 December 2017 1,498 21 View

What are the reasons behind the following Gaussian 16 error?

I have the following error running doublet molecule using M062X\6-31G(d): Annihilation of the first spin contaminant: S**2 before annihilation 0.7554, after 0.7500 Convergence failure...

11 December 2017 8,094 4 View

What are the advantages and disadvantages of artificial intelligence?

From your point of view, what are the benefits and risks of robots, artificial intelligence, and machine learning? What worries you about the arriving era of artificial intelligence? Dear reader,...

11 December 2017 4,205 66 View

What are the recommended DFT methods to study chemical reactions involving free radicals?

I'm planning to study a chemical system involving radical reactions such as H· and OH· addition or abstraction. Could you please suggest suitable DFT methods and basis sets for studying radical...

11 December 2017 5,680 10 View

What is your favorite and most inspiring quote ever?

Quotes that are written well can leave a profound impact on people. They may give hope and courage to continue and can help to see light at the end of the tunnel. One of my favorite quotes ever...

11 December 2017 2,695 58 View

Why isn't there silicon-based life?

Silicon and carbon are chemically very similar, both can form up to four chemical bonds. Silicon is the second most abundant element in Earth’s crust. But all kinds of life on Earth is based on...

11 December 2017 3,040 17 View

How to develop investments in renewable energy sources?

08 August 2024 5,112 3 View

My frequency output shows no errors, however, there's no frequency as a result on gausview. Does anyone know what I'm doing wrong?

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

Is artifacts in XPS possible to build high deviation in binding energy larger than 5 eV??

Hello. Thanks for your consideration to see my question. Recently, I conducted XPS anaylsis of g-CN that is prepared from thermal polycondensation of DCDA, so-called conventional bulk-g-CN,...

30 July 2024 9,824 2 View

Is there a database with onshore wind production for the wind farms in Portugal?

I am looking to predict some production for future onshore wind energy production in Portugal, is there any database with info of performances of the existing wind farms in the country? something...

28 July 2024 1,750 1 View

HAs anyone used TGA to find activation enegy of water evaporation?

I have different polymer solutions and I hypothesize that water molecules are retained based on the water-polymer interactions, so the amount of free water is less to intercat with drug tablet....

28 July 2024 9,545 6 View

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program?

How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...

28 July 2024 9,165 2 View

How can I replace missing data in time series (using EViews)?

My thesis includes variables of inflation rate (monthly), interest rate (weekly), exchange rate (daily), and crude oil production (monthly), as well as imports and exports (annually). The period...

27 July 2024 7,384 5 View

Problems with ion exchange chromatography?

I'm having problems with ion exchange chromatography. After applying my sample (a fluorescent protein), a preferential path inevitably forms. The matrix I use is DEAE-Sephacel. Could someone...

27 July 2024 6,605 0 View

Can we eliminate the stress singularity at the tip of the crack by manipulating the elastic constants?

The aim of the research here is to prevent the propagation of the crack in the fabricated elastic medium with useful applications.

25 July 2024 9,976 3 View

Can anyone kindly suggest research topics in the area of thermodynamics, heat transfer, fluid mechanics or renewable energy?

I am an undergraduate mechanical engineering student seeking suggestions on topics related to either thermodynamics, fluid mechanics, heat transfer or renewable energy for my final year project....

24 July 2024 4,058 5 View