How do I calculate Reaction Coordinate?

Emanuel Arturo Rentería @Emanuel-Renteria

04 April 2024 0 890 Report

How do I calculate the Reaction Coordinate values in axis-x (an equation)? Example in the next image:

Badges
Science topic

Similar topics
Mathematics

More Emanuel Arturo Rentería's questions See All

Asymptotic Analysis for Corner Singularities in Elastic Indentation Problems?

Dear fellow contact mechanicists, it is well known that the elastic edge singularity for the contact pressure in the vicinity of a singular contact boundary with a smooth boundary line is...

25 February 2024 6,948 3 View

Optimization, energy and frequency from cluster FexCoyNiz (x+y+z = 38) using DFT?

I have clusters of 38 FeCoNi atoms that were previously optimized using the Gupta semiempirical potential. I would like to perform a reoptimization, energy calculations, and frequency calculations...

23 January 2024 2,358 4 View

I need more articles about "Cycling Without Age"?

I have found only 5 articles that fit the topic "Cycling Without Age" so far. Maybe you have ideas which synonyms I could use for "Cycling Without Age". Or you can send me matching articles...

12 October 2023 2,061 0 View

What are criteria used to classify an alternative sources of energy?

Renewable source of energy is said to be an environmental friendly alternative source of energy specifically in addressing the emission of Green House Gases

29 March 2023 1,519 2 View

Where can I buy an attenuated Salmonella Typhimurium or an attenuated Listeria monocytogenes strains?

I want to avoid the attenuation process and Im looking for strains that are already attenuated.

25 March 2023 3,155 0 View

What are the abiotic variables that determine the distribution of forest species?

Hello everyone! happy new year! I am doing a research on the abiotic variables that most influence the development of forest species in temperate climates (mainly in the genera Pinus, Pseudotsuga...

31 December 2022 4,162 15 View

What kind of in-vivo dosimetry I can find to make QA in radiotherapy linacs, based in MLC analysis?

I'm looking for avaiable techniques to check "real-time" fluency.

07 May 2022 4,756 0 View

How do I recognize control Variables?

I’m doing a research right now and I’m trying ti find how and to what extent corruption impacts the interest of retail investors in a particular country. After a brief lit review, I tought to...

05 April 2022 4,538 6 View

Can the "moderate bulk stress" condition for 2D Cattaneo problems actually be satisfied for constant bulk stress?

Dear fellow contact mechanicians, I just stumbled over a problem in analytic mechanics of plane Cattaneo problems in the presence of bulk stress. It is said that the Ciavarella-Jäger principle...

31 March 2022 3,826 13 View

How to make my calculation DLPNO-CCSD(T) works?

Hello, I have been trying to obtain a single point using DLPNO-CCSD(T) but in some cases, I have obtained the following error: "ORCA finished by error termination in MDCI Calling Command: mpirun...

09 March 2022 6,592 1 View

Weak DAPI staining after immunohistochemistry - how to improve?

After immunohistochemistry of previously fixed in PFA and EtOH and then frozen 20 μm sections of zebrafish brain, DAPI staining is very weak (right) compared to the same sections stained without...

05 August 2024 9,637 2 View

Dirty and clean?

Hi everyone I need a file with a dirty and clean potato image

04 August 2024 7,197 4 View

Hello, regarding Mxene 2D titanium carbide?

I fabricated Ti3C2Tx using concentrated HF 40%, I plot an XRD as attached image below.. please let to know if I obtained it or not.

02 August 2024 6,788 4 View

IHC profiler in image j software. has anyone used it to quantify nuclear DAB positivity?

Dear researchers. I tried using the IHC PROFILER in image j to quantify nuclear DAB staining. I followed the instructions in the original article by "Varghese F, Bukhari AB, Malhotra R, De A...

29 July 2024 2,229 0 View

While using the IHC PROFILER plugin in image j software, to quantify the epithelial cytoplasmic DAB staining do you crop remove the stromal tissue?

My question pertaining to the DAB staining in cytoplasm of human oral squamous cell carcinoma tissue. When quantifying the epithelial cancer cells do we have to crop remove the stromal tissue?...

29 July 2024 2,682 6 View

Why in 2D image created by discovery studio 2021, the halogens appear as alkyl group?

In my molecule there is Chloro group at 2-position of phenyl ring, but in 2D image it appears as methyl showing no interaction.

28 July 2024 734 0 View

Why is there a significant edge deviation in radar point cloud and camera registration?

The above are manually labeled extrinsic matrices based on the first image It can be seen that the projection error at the edge is large, while the error at the center is small. What could be the...

23 July 2024 7,478 3 View

About Machine Learning for Automated Diagnosis of Skin Cancer with Dermoscopy Images ?

Machine Learning for Automated Diagnosis of Skin Cancer with Dermoscopy Images

21 July 2024 5,468 0 View

Which is the best approach for anomaly detection in scanned image data set?

Anomaly detection in scanned image data set

18 July 2024 3,576 3 View

What are the future implications of quantum computing on image processing algorithms?

Image Processing Algorithms, Quantum Computing.

17 July 2024 7,956 2 View