08 December 2021 1 278 Report

I am currently working on a project to evaluate CO2 storage sites where one of the interests is there a chemical interaction between the rock, the seal and the injected CO2 agent?

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How to prepare a molecule for molecular dynamics calculations?

If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...

28 July 2024 673 3 View

Why Orca calculations take too loong?

Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...

25 July 2024 3,364 5 View

ORCA. What does this error mean: cleanup molecule is Linear but not aligned to z-axis?

Dear researchers, Here is my input file: # avogadro generated ORCA input file # Basic Mode # ! RHF SP def2-SVP Opt Freq MORead #! BP RI OPT FREQ def2-SVP def2/J MORead %moinp "co2.gbw" *...

12 June 2024 1,810 6 View

What strategy can Tesla use to improve their brand image and consumer trust as the most innovative car company?

The question is for a business case research plan where a theory and additional research is needed.

22 March 2024 7,263 1 View

CST Studio: How to perform temperature dependence of dielectric permittivity and conductivity?

Greetings! I have a task to estimate microwave heating of dielectric object vs time. For this reason I need to make dielectric permittivity and conductivity of material under investigation...

06 October 2023 3,077 2 View

What are the consciousness states where one would see an absolute power decrease in the EEG?

I am making a comparison between different states of consciousness and I would like to ask here to make sure I have not missed anything important.

09 August 2022 5,570 3 View

Which group psychotherapy questionnaire?

Hello, My team has planned to diagnostically follow one psychotherapy group with questionnaires. I wanted to use the TFI (therapeutic factors inventory) to analyze therapeutic factors based on...

20 November 2021 301 3 View

How can you validate a survey with conditional branching?

I want to create a survey to assess relevance of health technology. Basically the survey will assess relevance by identifying whether the technology is a good fit for an individual. I am thinking...

11 June 2021 8,853 4 View

Have you studied in the online language school?

If yes, please, answer my survey: https://lutlsb.eu.qualtrics.com/jfe/form/SV_6eSC275ju25J5Kl I'm writing the Master's Thesis and I would appreciate the impact from the academic community!

21 October 2020 1,570 3 View

Global Warming Potential of energy sources for electricity production (country-specific)?

Currently, I am trying to compare the environmental impact of electricity mixes in Germany, Slovakia, Czech Republic, Hungary, and Italy. For this, I need to know the country-specific impact...

02 May 2020 1,124 5 View

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Question about combustion Kinetics ?

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