Fast calculations of electrostatic potential surface using .wfn

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When should I stop watering A.thaliana for collect their seeds?

I have been following Rivero et al 2014 protocols, but I am not sure when I should stop watering because my plants are completely yellow but the siliques are not 80% brown. Any recommendations?...

30 July 2024 2,301 7 View

I am working on my Master's thesis on the biogeography of the genus Ruagea and I would like to ask, could someone help me to check whether my result?

I created a file with my outgroup and ingroup species using Beauti, ran it in BEAST, viewed it in Tracer, and then used TreeAnnotator to create a file that I imported into RASP. Could someone...

28 July 2024 2,979 1 View

What’s the cost of maintance of inactive coal fired plant of 1500 a mw with a chemney of 354 meter high?

One plant was closed it is uncertain what would be the cost of maintaining the infraestructure as industrial heritage. Any idea?

09 July 2024 7,969 0 View

Can anyone share the JCR impact factor for 2024?

Please can someone share the list of journals with impact factor published in 2024?

27 June 2024 2,927 0 View

¿En qué medida las tecnologías educativas están siendo efectivas para promover el desarrollo de habilidades para la vida?

las

19 June 2024 2,125 3 View

Is there a plugin for weka to read *.sav files from SPSS?

Hello there. Several references say that there is a reader for .sav files from SPSS in Weka, but I just can´t find it. Can anyone provide help? Thanks in advance

12 June 2024 3,844 2 View

Any bacteriolytic antibiotic for gram negative bacteria?

I need a bacteriolytic antibiotic for destroy only extracelullar gram negative bacteria Any suggestions?

16 May 2024 7,585 5 View

¿Está la escuela española preparada para que se lleve a cabo la inclusión real de todo el alumnado?

En el informe TALIS 2018: Estudio Internacional de la enseñanza y aprendizaje dirigido a la mejora de la formación y el ejercicio docente, se han incluido aspectos relacionados con la innovación y...

11 May 2024 5,550 0 View

There is an issue with the ResearchGate statistics?

Today I checked my RG profile because it notified me of a new citation, however, when I entered my profile, I found that the citation statistic is at 0 (previously I had close to 1000 citations)....

19 April 2024 378 1 View

Repeatability coefficient or Standard error of Measurement?

The repeatability coefficient (CR) (Bland Altman) is used to report repeatability understood as the index that compares measurements with the same subject, the same observer and in a short space...

16 April 2024 7,660 0 View

Could you recommend some articles on Urban Transportation System optimization and Innovation?

13 August 2024 2,595 3 View

Is it possible to plot the atom-projected band structure using GPAW?

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

How combine yolo with Faster R-CNN?

I want a model that is balanced with accuracy or speed, faster rcnn has high accuracy while yolo have fast speed. i am thinking to combine them to get a hybrid model to achieve both speed and accuracy

02 August 2024 3,104 0 View

A Question about Phd thesis?

Hello everyone What is your opinion about the introduction of an expert decision support system in which the rules are extracted from existing data without human intervention, instead of being...

31 July 2024 5,785 4 View

After a lot of feature engineering for CTR modeling, it feels like it's basically the end of iteration? I mean, it's not cost-effective to keep doing?

After a lot of feature engineering for click-through rate modeling, it feels like it's basically the end of iteration? I mean, it's not cost-effective to keep doing it?

29 July 2024 4,955 0 View

How to use Desmond in HPC ?

Our department has recently acquired an HPC (High-Performance Computing) system, and I'm thrilled to take my molecular dynamics calculations to the next level using Desmond. I used to run my...

28 July 2024 6,553 1 View

Can I use Likert scale with Paired Sample T-test?

Hey researchers! I am currently doing a research about to what extent in which A has accelerated the inclusiveness of the payment system in my country. Down below are a few examples of the...

26 July 2024 5,654 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

MDCI module in Orca software?

Dear Researchers, My question is associated with the "MDCI" method in Orca. Please let me clarify my question using a simple example: Suppose we are going to perform CBS extrapolation using "!...

21 July 2024 1,632 0 View

Look for qualified candidates of Visiting Scholars to Southwest Jiaotong University?

We invite qualified candidates of Visiting Scholars to engage in research collaboration or deliver lectures on their research, with travel expenses covered. The visiting period is flexible,...

20 July 2024 1,165 1 View

Bojidarka B. Ivanova

Mr. Ferino-Pérez,

Just indicate the working-directory (for example C:/xxx/xxx/file-name.wfn) and follow the instructions shown as window using Multiwfn.

Anthuan Ferino-Pérez

Ms. Ivanova

I was asking for forms to reduce the time used to do the calculations no how to do the them because for large systems it could take very long time